2-(butanoylamino)-N-phenylbenzamide

C17H18N2O2 — CID 676008

IUPAC2-(butanoylamino)-N-phenylbenzamide
SMILESCCCC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-2-8-16(20)19-15-12-7-6-11-14(15)17(21)18-13-9-4-3-5-10-13/h3-7,9-12H,2,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyXNUPEBFGXBVLOU-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.68
Rot. Bonds5

About 2-(butanoylamino)-N-phenylbenzamide

2-(butanoylamino)-N-phenylbenzamide (PubChem CID 676008) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(butanoylamino)-N-phenylbenzamide.

Molecular Properties

Compound Name2-(butanoylamino)-N-phenylbenzamide
PubChem CID676008
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-(butanoylamino)-N-phenylbenzamide
SMILESCCCC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H18N2O2/c1-2-8-16(20)19-15-12-7-6-11-14(15)17(21)18-13-9-4-3-5-10-13/h3-7,9-12H,2,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyXNUPEBFGXBVLOU-UHFFFAOYSA-N
XLogP3.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid
CID 155548580
2-(butanoylamino)-N-prop-2-enylbenzamide
CID 4932304
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
4-[[2-(propanoylamino)benzoyl]amino]benzoic acid
CID 2232955
2-(pentanoylamino)-N-pyridin-3-ylbenzamide
CID 30336770
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
N-[2-(butanoylamino)phenyl]-2-methylsulfanylbenzamide
CID 2996847
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
2-hydrazinyl-N-phenylbenzamide
CID 12569370
4-[2-[(3-chlorophenyl)carbamoyl]anilino]-4-oxobutanoic acid
CID 851960

Frequently Asked Questions

What is the IUPAC name of 2-(butanoylamino)-N-phenylbenzamide?
The IUPAC name of 2-(butanoylamino)-N-phenylbenzamide (CID 676008) is 2-(butanoylamino)-N-phenylbenzamide.
What is the SMILES notation for 2-(butanoylamino)-N-phenylbenzamide?
The canonical SMILES for 2-(butanoylamino)-N-phenylbenzamide is CCCC(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(butanoylamino)-N-phenylbenzamide?
The InChIKey is XNUPEBFGXBVLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-8-16(20)19-15-12-7-6-11-14(15)17(21)18-13-9-4-3-5-10-13/h3-7,9-12H,2,8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-(butanoylamino)-N-phenylbenzamide?
2-(butanoylamino)-N-phenylbenzamide has a molecular weight of 282.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butanoylamino)-N-phenylbenzamide is sourced from PubChem (CID 676008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).