4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride

C19H22ClN3O2 — CID 120608448

IUPAC4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H21N3O2.ClH/c20-17-4-2-1-3-13(17)7-12-18(23)21-15-8-5-14(6-9-15)19(24)22-16-10-11-16;/h1-6,8-9,16H,7,10-12,20H2,(H,21,23)(H,22,24);1H
InChIKeyJLNZRJVCTDEWBN-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.15
Rot. Bonds6

About 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride

4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride (PubChem CID 120608448) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride
PubChem CID120608448
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)Nc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H21N3O2.ClH/c20-17-4-2-1-3-13(17)7-12-18(23)21-15-8-5-14(6-9-15)19(24)22-16-10-11-16;/h1-6,8-9,16H,7,10-12,20H2,(H,21,23)(H,22,24);1H
InChIKeyJLNZRJVCTDEWBN-UHFFFAOYSA-N
XLogP3.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 120608755
3-[3-(2-aminophenyl)propanoylamino]-N-cyclohexylbenzamide
CID 54795525
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbutanamide;hydrochloride
CID 120609190
3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride
CID 120610801
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride
CID 120608128
ethyl 2-[[4-[3-(2-aminophenyl)propanoylamino]benzoyl]amino]propanoate;hydrochloride
CID 120611424
3-(2-aminophenyl)-N-(4-propan-2-ylcyclohexyl)propanamide;hydrochloride
CID 120611579
4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 120612721
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
4-(4-chlorobutanoylamino)-N-cyclopropylbenzamide
CID 63309347

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride?
The IUPAC name of 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride (CID 120608448) is 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride.
What is the SMILES notation for 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride?
The canonical SMILES for 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride is Cl.Nc1ccccc1CCC(=O)Nc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride?
The InChIKey is JLNZRJVCTDEWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c20-17-4-2-1-3-13(17)7-12-18(23)21-15-8-5-14(6-9-15)19(24)22-16-10-11-16;/h1-6,8-9,16H,7,10-12,20H2,(H,21,23)(H,22,24);1H.
What are the key properties of 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride?
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride is sourced from PubChem (CID 120608448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).