4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide

C17H18ClN3O3 — CID 56784810

IUPAC4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H18ClN3O3/c1-24-15-7-4-12(18)10-14(15)20-9-8-16(22)21-13-5-2-11(3-6-13)17(19)23/h2-7,10,20H,8-9H2,1H3,(H2,19,23)(H,21,22)
InChIKeyNJFFHKZFQOILHU-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.89
Rot. Bonds7

About 4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide

4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide (PubChem CID 56784810) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide.

Molecular Properties

Compound Name4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
PubChem CID56784810
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H18ClN3O3/c1-24-15-7-4-12(18)10-14(15)20-9-8-16(22)21-13-5-2-11(3-6-13)17(19)23/h2-7,10,20H,8-9H2,1H3,(H2,19,23)(H,21,22)
InChIKeyNJFFHKZFQOILHU-UHFFFAOYSA-N
XLogP2.89
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide
CID 47824671
3-(5-chloro-2-methoxyanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 52782436
3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109038452
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide
CID 51096700
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119385515
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796
3-(5-chloro-2-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109038481

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide?
The IUPAC name of 4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide (CID 56784810) is 4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide.
What is the SMILES notation for 4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide?
The canonical SMILES for 4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide is COc1ccc(Cl)cc1NCCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide?
The InChIKey is NJFFHKZFQOILHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-24-15-7-4-12(18)10-14(15)20-9-8-16(22)21-13-5-2-11(3-6-13)17(19)23/h2-7,10,20H,8-9H2,1H3,(H2,19,23)(H,21,22).
What are the key properties of 4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide?
4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide has a molecular weight of 347.80 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide is sourced from PubChem (CID 56784810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).