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Chemical ID: 5935931

Chemical ID:

5935931

Name [?]:

N-butyl-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]benzamide

SMILES [?]:

CCCCN(Cc1cccn1Cc2ccccc2Cl)C(=O)c3ccccc3

InChi [?]:

InChI=1/C23H25ClN2O/c1-2-3-15-26(23(27)19-10-5-4-6-11-19)18-21-13-9-16-25(21)17-20-12-7-8-14-22(20)24/h4-14,16H,2-3,15,17-18H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,25,24,26,15,16,9,23,27,14,8,17,4,10,12,6,22,13,7,18,20,19,11,5,21/E:(5,6)(10,11)/rA:27nCCCCNCCCCCNCCCCCCCClCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s7s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s5;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅ClN₂O
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8772
Area:	569.548
Solvation:	-2.36146
Coulombic:	-27.5818

Bond Count [?]

All:	29
Single:	20
Double:	9
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	380.91
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	6.07
LogP (Chemaxon):	5.49

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