2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide

C17H15ClN2O3 — CID 110676330

IUPAC2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CCC(=O)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O3/c18-13-7-3-1-5-11(13)15(21)9-10-16(22)20-14-8-4-2-6-12(14)17(19)23/h1-8H,9-10H2,(H2,19,23)(H,20,22)
InChIKeyGGKMLYYHNYKYGW-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.04
Rot. Bonds6

About 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide

2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide (PubChem CID 110676330) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide
PubChem CID110676330
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CCC(=O)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O3/c18-13-7-3-1-5-11(13)15(21)9-10-16(22)20-14-8-4-2-6-12(14)17(19)23/h1-8H,9-10H2,(H2,19,23)(H,20,22)
InChIKeyGGKMLYYHNYKYGW-UHFFFAOYSA-N
XLogP3.04
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110424083
ethyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110428348
2-(3-aminopropanoylamino)benzamide
CID 22692052
2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzamide
CID 51208638
2-(7-chloroheptanoylamino)benzamide
CID 139930503
4-(2-chlorophenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110425325
N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide
CID 92944462
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 958766
2-(4-aminopentanoylamino)benzamide;hydrochloride
CID 120558709
2-amino-N-(2-carbamoylphenyl)-3-chlorobenzamide
CID 80503937
N-(2-carbamothioylphenyl)-3-hydroxypropanamide
CID 43165081

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide?
The IUPAC name of 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide (CID 110676330) is 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide.
What is the SMILES notation for 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide?
The canonical SMILES for 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CCC(=O)c1ccccc1Cl.
What is the InChIKey of 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide?
The InChIKey is GGKMLYYHNYKYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-13-7-3-1-5-11(13)15(21)9-10-16(22)20-14-8-4-2-6-12(14)17(19)23/h1-8H,9-10H2,(H2,19,23)(H,20,22).
What are the key properties of 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide?
2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide has a molecular weight of 330.77 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide is sourced from PubChem (CID 110676330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).