2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride

C21H25Cl2N3O2 — CID 120591834

IUPAC2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1ccccc1.Cl
InChIInChI=1S/C21H24ClN3O2.ClH/c1-21(23,15-8-4-2-5-9-15)20(27)24-16-10-11-17(18(22)14-16)19(26)25-12-6-3-7-13-25;/h2,4-5,8-11,14H,3,6-7,12-13,23H2,1H3,(H,24,27);1H
InChIKeyXUWMCQSRGVRPBF-UHFFFAOYSA-N
MW422.36 g/mol
LogP4.20
Rot. Bonds4

About 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride

2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride (PubChem CID 120591834) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride
PubChem CID120591834
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1ccccc1.Cl
InChIInChI=1S/C21H24ClN3O2.ClH/c1-21(23,15-8-4-2-5-9-15)20(27)24-16-10-11-17(18(22)14-16)19(26)25-12-6-3-7-13-25;/h2,4-5,8-11,14H,3,6-7,12-13,23H2,1H3,(H,24,27);1H
InChIKeyXUWMCQSRGVRPBF-UHFFFAOYSA-N
XLogP4.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119776899
1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 119776900
4-[(2-amino-2-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 120589553
(2S)-2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-4-methylpentanamide;hydrochloride
CID 119776951
2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120595365
3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide
CID 120500534
2-amino-N-(4-chloro-3-fluorophenyl)-2-phenylpropanamide
CID 62487359
2-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylpropanamide;hydrochloride
CID 120586675
2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride
CID 120588334
2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide
CID 120588419
2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide
CID 119776940
4-[(2-amino-2-phenylpropanoyl)amino]-2-methyl-N-propan-2-ylbenzamide
CID 120592023

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride (CID 120591834) is 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride is CC(N)(C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride?
The InChIKey is XUWMCQSRGVRPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2.ClH/c1-21(23,15-8-4-2-5-9-15)20(27)24-16-10-11-17(18(22)14-16)19(26)25-12-6-3-7-13-25;/h2,4-5,8-11,14H,3,6-7,12-13,23H2,1H3,(H,24,27);1H.
What are the key properties of 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride?
2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride has a molecular weight of 422.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120591834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).