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Chemical ID: 5873727

c1ccc(cc1)Cc2ccccc2NC(=O)C(Cc3ccccc3)NC(=O)Nc4ccccc4F

Chemical ID:

5873727

Name [?]:

N-(2-benzylphenyl)-2-[(2-fluorophenyl)carbamoylamino]-3-phenyl-propanamide

SMILES [?]:

c1ccc(cc1)Cc2ccccc2NC(=O)C(Cc3ccccc3)NC(=O)Nc4ccccc4F

InChi [?]:

InChI=1/C29H26FN3O2/c30-24-16-8-10-18-26(24)32-29(35)33-27(20-22-13-5-2-6-14-22)28(34)31-25-17-9-7-15-23(25)19-21-11-3-1-4-12-21/h1-18,27H,19-20H2,(H,31,34)(H2,32,33,35)

InChi Info:

AuxInfo=1/1/N:1,22,2,6,21,23,10,32,11,31,3,5,20,24,9,33,12,30,7,18,4,19,8,34,13,29,17,15,26,35,14,28,25,16,27/E:(3,4)(5,6)(11,12)(13,14)/rA:35cCCCCCCCCCCCCCNCOCCCCCCCCNCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s17;s25;d26;s26;s28;s29;d30;s31;d32;d29s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₆FN₃O₂
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	12.824
Area:	673.141
Solvation:	-4.00449
Coulombic:	-64.0594

Bond Count [?]

All:	38
Single:	24
Double:	14
Rotors:	11
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	467.534
H-Bond Donors:	3
H-Bond Acceptors:	5
XLogP:	5.54
LogP (Chemaxon):	5.57

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value