3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide

C17H16ClFN2O2 — CID 26166630

IUPAC3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H16ClFN2O2/c1-2-4-16(22)20-12-6-3-5-11(9-12)17(23)21-13-7-8-15(19)14(18)10-13/h3,5-10H,2,4H2,1H3,(H,20,22)(H,21,23)
InChIKeyUIUSMRRQTJPXQF-UHFFFAOYSA-N
MW334.78 g/mol
LogP4.47
Rot. Bonds5

About 3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide

3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide (PubChem CID 26166630) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide
PubChem CID26166630
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H16ClFN2O2/c1-2-4-16(22)20-12-6-3-5-11(9-12)17(23)21-13-7-8-15(19)14(18)10-13/h3,5-10H,2,4H2,1H3,(H,20,22)(H,21,23)
InChIKeyUIUSMRRQTJPXQF-UHFFFAOYSA-N
XLogP4.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 43878146
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
N-(3-chloro-4-fluorophenyl)-3-(octanoylcarbamothioylamino)benzamide
CID 43878115
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664
3-bromo-N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-4-propoxybenzamide
CID 26166839
2-phenylethyl 4-[3-[(3-chloro-4-fluorophenyl)carbamoyl]anilino]-4-oxobutanoate
CID 26166741
N-(3-chloro-4-fluorophenyl)-3-(3-methylbutanoylcarbamothioylamino)benzamide
CID 26167306
2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226122
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762
N-(3-chloro-4-fluorophenyl)-3-(2-phenoxybutanoylamino)benzamide
CID 43877933
1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057416

Frequently Asked Questions

What is the IUPAC name of 3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide?
The IUPAC name of 3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide (CID 26166630) is 3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide.
What is the SMILES notation for 3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide?
The canonical SMILES for 3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide is CCCC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide?
The InChIKey is UIUSMRRQTJPXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-2-4-16(22)20-12-6-3-5-11(9-12)17(23)21-13-7-8-15(19)14(18)10-13/h3,5-10H,2,4H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide?
3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide has a molecular weight of 334.78 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butanoylamino)-N-(3-chloro-4-fluorophenyl)benzamide is sourced from PubChem (CID 26166630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).