N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide

C18H19ClN2O2 — CID 17199504

IUPACN-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-18(2,3)21-17(23)12-7-9-15(10-8-12)20-16(22)13-5-4-6-14(19)11-13/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyFOBDDRMQFABIRQ-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.12
Rot. Bonds3

About N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide

N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide (PubChem CID 17199504) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
PubChem CID17199504
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-18(2,3)21-17(23)12-7-9-15(10-8-12)20-16(22)13-5-4-6-14(19)11-13/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyFOBDDRMQFABIRQ-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

N-tert-butyl-3-[(4-chlorobenzoyl)amino]benzamide
CID 879535
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
CID 25219116
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109048535
N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide
CID 112988228
3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109056003
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17195208
3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109055998
3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 17102477
N-tert-butyl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54844566

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide?
The IUPAC name of N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide (CID 17199504) is N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide?
The canonical SMILES for N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide is CC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide?
The InChIKey is FOBDDRMQFABIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-18(2,3)21-17(23)12-7-9-15(10-8-12)20-16(22)13-5-4-6-14(19)11-13/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide?
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide 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-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide is sourced from PubChem (CID 17199504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).