4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide

C17H16F2N2O2 — CID 17271977

IUPAC4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H16F2N2O2/c1-2-3-16(22)20-14-6-4-11(5-7-14)17(23)21-15-9-12(18)8-13(19)10-15/h4-10H,2-3H2,1H3,(H,20,22)(H,21,23)
InChIKeyYSYLJPDTPMIZST-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.96
Rot. Bonds5

About 4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide

4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide (PubChem CID 17271977) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is 4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide
PubChem CID17271977
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC Name4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H16F2N2O2/c1-2-3-16(22)20-14-6-4-11(5-7-14)17(23)21-15-9-12(18)8-13(19)10-15/h4-10H,2-3H2,1H3,(H,20,22)(H,21,23)
InChIKeyYSYLJPDTPMIZST-UHFFFAOYSA-N
XLogP3.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-difluorophenyl)butanamide
CID 17271988
N-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide
CID 1214398
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(3,5-dichlorophenyl)-4-(pentanoylamino)benzamide
CID 4630686
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
CID 4003152
N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17202512
4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide
CID 7318150
methyl 3-[[4-(butanoylamino)phenyl]carbamoyl]benzoate
CID 17202591
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836956
N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-4-fluorobenzamide
CID 4510137

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide?
The IUPAC name of 4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide (CID 17271977) is 4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide.
What is the SMILES notation for 4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide?
The canonical SMILES for 4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide is CCCC(=O)Nc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide?
The InChIKey is YSYLJPDTPMIZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-2-3-16(22)20-14-6-4-11(5-7-14)17(23)21-15-9-12(18)8-13(19)10-15/h4-10H,2-3H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide?
4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide has a molecular weight of 318.32 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide is sourced from PubChem (CID 17271977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).