N-[3-(butanoylamino)phenyl]-2-chlorobenzamide

C17H17ClN2O2 — CID 17187534

IUPACN-[3-(butanoylamino)phenyl]-2-chlorobenzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-2-6-16(21)19-12-7-5-8-13(11-12)20-17(22)14-9-3-4-10-15(14)18/h3-5,7-11H,2,6H2,1H3,(H,19,21)(H,20,22)
InChIKeyKFZQOHUNLMXCHS-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.33
Rot. Bonds5

About N-[3-(butanoylamino)phenyl]-2-chlorobenzamide

N-[3-(butanoylamino)phenyl]-2-chlorobenzamide (PubChem CID 17187534) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[3-(butanoylamino)phenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)phenyl]-2-chlorobenzamide
PubChem CID17187534
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[3-(butanoylamino)phenyl]-2-chlorobenzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-2-6-16(21)19-12-7-5-8-13(11-12)20-17(22)14-9-3-4-10-15(14)18/h3-5,7-11H,2,6H2,1H3,(H,19,21)(H,20,22)
InChIKeyKFZQOHUNLMXCHS-UHFFFAOYSA-N
XLogP4.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide
CID 51120300
2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide
CID 53245483
N-[[3-(butanoylamino)phenyl]carbamothioyl]-5-chloronaphthalene-1-carboxamide
CID 22778393
N-[3-(butanoylamino)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
CID 2986226
N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17187605
N-[3-(butanoylamino)phenyl]-4-chlorobutanamide
CID 17187674
2-chloro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide
CID 1227605
2-chloro-N-[3-[[2-(2-chloro-4,6-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 3877756
N-[4-(butanoylamino)phenyl]-2,5-dichlorobenzamide
CID 1370195
2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide
CID 53245435
2-(butanoylamino)-N-phenylbenzamide
CID 676008

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)phenyl]-2-chlorobenzamide?
The IUPAC name of N-[3-(butanoylamino)phenyl]-2-chlorobenzamide (CID 17187534) is N-[3-(butanoylamino)phenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[3-(butanoylamino)phenyl]-2-chlorobenzamide?
The canonical SMILES for N-[3-(butanoylamino)phenyl]-2-chlorobenzamide is CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of N-[3-(butanoylamino)phenyl]-2-chlorobenzamide?
The InChIKey is KFZQOHUNLMXCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-2-6-16(21)19-12-7-5-8-13(11-12)20-17(22)14-9-3-4-10-15(14)18/h3-5,7-11H,2,6H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-(butanoylamino)phenyl]-2-chlorobenzamide?
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide has a molecular weight of 316.79 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylamino)phenyl]-2-chlorobenzamide is sourced from PubChem (CID 17187534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).