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Chemical ID: 6908326

Chemical ID:

6908326

Name [?]:

(4-fluorophenyl)carbamoylmethyl 4-methoxybenzoate

SMILES [?]:

COc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2)F

InChi [?]:

InChI=1/C16H14FNO4/c1-21-14-8-2-11(3-9-14)16(20)22-10-15(19)18-13-6-4-12(17)5-7-13/h2-9H,10H2,1H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,5,7,18,20,17,21,4,8,12,6,19,16,3,13,9,22,15,14,10,2,11/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCOCCCCCCCOOCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄FNO₄
All Atoms:	36
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	7.33314
Area:	507.046
Solvation:	-5.343
Coulombic:	-51.2146

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	303.285
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.77
LogP (Chemaxon):	2.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value