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Chemical ID: 4782790

Cc1c(cc(n1c2ccccc2)c3ccc(cc3)Cl)C(=O)Nc4ccccc4

Chemical ID:

4782790

Name [?]:

5-(4-chlorophenyl)-2-methyl-N,1-diphenyl-pyrrole-3-carboxamide

SMILES [?]:

Cc1c(cc(n1c2ccccc2)c3ccc(cc3)Cl)C(=O)Nc4ccccc4

InChi [?]:

InChI=1/C24H19ClN2O/c1-17-22(24(28)26-20-8-4-2-5-9-20)16-23(18-12-14-19(25)15-13-18)27(17)21-10-6-3-7-11-21/h2-16H,1H3,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,26,10,25,27,9,11,24,28,8,12,14,18,15,17,4,2,13,16,23,7,3,5,20,19,22,6,21/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28nCCCCCNCCCCCCCCCCCCClCONCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s5;s13;d14;s15;d16;d13s17;s16;s3;d20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉ClN₂O
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	12.675
Area:	599.43
Solvation:	-2.31071
Coulombic:	-30.8074

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	386.873
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.39
LogP (Chemaxon):	5.75

Name Annotations

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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