N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide

C18H19ClN2O2 — CID 879535

IUPACN-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O2/c1-18(2,3)21-17(23)13-5-4-6-15(11-13)20-16(22)12-7-9-14(19)10-8-12/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyWUIXLKOYYYMQDQ-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.12
Rot. Bonds3

About N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide

N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide (PubChem CID 879535) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
PubChem CID879535
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O2/c1-18(2,3)21-17(23)13-5-4-6-15(11-13)20-16(22)12-7-9-14(19)10-8-12/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyWUIXLKOYYYMQDQ-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17199504
1-N-(3-acetamidophenyl)-3-N-tert-butylbenzene-1,3-dicarboxamide
CID 109056044
4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109048535
N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54844566
N-tert-butyl-3-[[4-(methylsulfanylmethyl)benzoyl]amino]benzamide
CID 87006555
N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28639414
3-N-tert-butyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055991
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664
N-[3-(tert-butylcarbamoyl)phenyl]-1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 78890975
4-N-tert-butyl-1-N-(3,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 48846340

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide?
The IUPAC name of N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide (CID 879535) is N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide?
The InChIKey is WUIXLKOYYYMQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-18(2,3)21-17(23)13-5-4-6-15(11-13)20-16(22)12-7-9-14(19)10-8-12/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide?
N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide has a molecular weight of 330.82 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide is sourced from PubChem (CID 879535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).