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

C18H19ClN2O2 — CID 17195208

IUPACN-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-2-3-11-20-17(22)13-7-9-16(10-8-13)21-18(23)14-5-4-6-15(19)12-14/h4-10,12H,2-3,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyQGKIHFIBNRWARO-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.12
Rot. Bonds6

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

N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide (PubChem CID 17195208) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide
PubChem CID17195208
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O2/c1-2-3-11-20-17(22)13-7-9-16(10-8-13)21-18(23)14-5-4-6-15(19)12-14/h4-10,12H,2-3,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyQGKIHFIBNRWARO-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-butyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051224
1-N-butyl-3-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109051156
N-butyl-4-[[2-(3-chloroanilino)acetyl]amino]benzamide
CID 54809138
1-N-butyl-4-N-(3,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043815
1-N-butyl-4-N-(3-chloro-4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043761
3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
CID 25219116
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
1-N-butyl-4-N-(3-chloro-4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043760
1-N-butyl-3-N-(2,5-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051226
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4940346
4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
CID 109043765
1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051168

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide?
The IUPAC name of N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide (CID 17195208) is N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide?
The canonical SMILES for N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide is CCCCNC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide?
The InChIKey is QGKIHFIBNRWARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-2-3-11-20-17(22)13-7-9-16(10-8-13)21-18(23)14-5-4-6-15(19)12-14/h4-10,12H,2-3,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide?
N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide has a molecular weight of 330.82 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylcarbamoyl)phenyl]-3-chlorobenzamide is sourced from PubChem (CID 17195208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).