3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide

C17H16ClN3O3 — CID 112767596

IUPAC3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C17H16ClN3O3/c1-10(20-17(24)11-5-7-13(18)8-6-11)16(23)21-14-4-2-3-12(9-14)15(19)22/h2-10H,1H3,(H2,19,22)(H,20,24)(H,21,23)
InChIKeyBDBOOZDTROGXNE-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.20
Rot. Bonds5

About 3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide

3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide (PubChem CID 112767596) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide.

Molecular Properties

Compound Name3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide
PubChem CID112767596
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C17H16ClN3O3/c1-10(20-17(24)11-5-7-13(18)8-6-11)16(23)21-14-4-2-3-12(9-14)15(19)22/h2-10H,1H3,(H2,19,22)(H,20,24)(H,21,23)
InChIKeyBDBOOZDTROGXNE-UHFFFAOYSA-N
XLogP2.20
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 46744916
N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112763253
4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide
CID 51147091
3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
CID 40972283
N-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 51606082
[1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]propanoate
CID 24687676
3-(2-aminopropanoylamino)benzamide
CID 61258270
[(2R)-1-anilino-1-oxopropan-2-yl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563942
4-chloro-N-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]anilino]-1-oxopropan-2-yl]benzamide
CID 86901739
N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide
CID 24638933
N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide
CID 42960816
3-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17197361

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide?
The IUPAC name of 3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide (CID 112767596) is 3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide.
What is the SMILES notation for 3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide?
The canonical SMILES for 3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide is CC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide?
The InChIKey is BDBOOZDTROGXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-10(20-17(24)11-5-7-13(18)8-6-11)16(23)21-14-4-2-3-12(9-14)15(19)22/h2-10H,1H3,(H2,19,22)(H,20,24)(H,21,23).
What are the key properties of 3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide?
3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide has a molecular weight of 345.79 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide is sourced from PubChem (CID 112767596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).