N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride

C19H22ClN3O2 — CID 119700127

IUPACN-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.NCC(C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1
InChIInChI=1S/C19H21N3O2.ClH/c20-12-17(13-4-2-1-3-5-13)19(24)22-16-10-8-15(9-11-16)21-18(23)14-6-7-14;/h1-5,8-11,14,17H,6-7,12,20H2,(H,21,23)(H,22,24);1H
InChIKeyKZGFMRYJQZAWQO-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.14
Rot. Bonds6

About N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride

N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 119700127) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride
PubChem CID119700127
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCl.NCC(C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1
InChIInChI=1S/C19H21N3O2.ClH/c20-12-17(13-4-2-1-3-5-13)19(24)22-16-10-8-15(9-11-16)21-18(23)14-6-7-14;/h1-5,8-11,14,17H,6-7,12,20H2,(H,21,23)(H,22,24);1H
InChIKeyKZGFMRYJQZAWQO-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(3-amino-2-phenylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 115738013
N-(4-acetylphenyl)-3-amino-2-phenylpropanamide
CID 62877329
N-[4-[(3-amino-2-methoxypropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 106112552
4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119776410
N-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 119276864
4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684154
4-[(3-amino-2-phenylpropanoyl)amino]-N-tert-butylbenzamide;hydrochloride
CID 119703080
N-[4-[[(3S)-3-phenylbutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 40790954
3-amino-N-(6-fluoro-3-pyridinyl)-2-phenylpropanamide
CID 103808686
3-amino-N-(2-cyclopropylpropan-2-yl)-2-phenylpropanamide
CID 114110658
3-amino-N-(3,5-dichloro-4-fluorophenyl)-2-phenylpropanamide
CID 107574522
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride
CID 119723753

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride (CID 119700127) is N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride is Cl.NCC(C(=O)Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is KZGFMRYJQZAWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c20-12-17(13-4-2-1-3-5-13)19(24)22-16-10-8-15(9-11-16)21-18(23)14-6-7-14;/h1-5,8-11,14,17H,6-7,12,20H2,(H,21,23)(H,22,24);1H.
What are the key properties of N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride?
N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 119700127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).