4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide

C18H18ClN3O3 — CID 51147091

IUPAC4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)C(C)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-11(21-18(25)13-3-7-14(19)8-4-13)16(23)22-15-9-5-12(6-10-15)17(24)20-2/h3-11H,1-2H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyDDOUIHYTXIRUEX-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.46
Rot. Bonds5

About 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide

4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide (PubChem CID 51147091) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide
PubChem CID51147091
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)C(C)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClN3O3/c1-11(21-18(25)13-3-7-14(19)8-4-13)16(23)22-15-9-5-12(6-10-15)17(24)20-2/h3-11H,1-2H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyDDOUIHYTXIRUEX-UHFFFAOYSA-N
XLogP2.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide
CID 42960816
N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112763253
3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide
CID 112767596
N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 10685889
N-[1-(3-bromoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 46744916
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide
CID 78972443
4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 74292353
4-chloro-N-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46744939
4-chloro-N-[1-[2-(methylamino)ethylamino]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119503902
N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112767961
[(2R)-1-anilino-1-oxopropan-2-yl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563942

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide?
The IUPAC name of 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide (CID 51147091) is 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide?
The canonical SMILES for 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)C(C)NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide?
The InChIKey is DDOUIHYTXIRUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-11(21-18(25)13-3-7-14(19)8-4-13)16(23)22-15-9-5-12(6-10-15)17(24)20-2/h3-11H,1-2H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide?
4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide has a molecular weight of 359.81 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 51147091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).