N-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide

C23H23ClN2O2 — CID 52951265

IUPACN-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide
SMILESC#CC(=O)N(Cc1ccccc1Cl)C(C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C23H23ClN2O2/c1-2-21(27)26(16-18-12-6-9-15-20(18)24)22(17-10-4-3-5-11-17)23(28)25-19-13-7-8-14-19/h1,3-6,9-12,15,19,22H,7-8,13-14,16H2,(H,25,28)
InChIKeyGKCXHHLJOZQQLB-UHFFFAOYSA-N
MW394.90 g/mol
LogP4.10
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide

N-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide (PubChem CID 52951265) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide
PubChem CID52951265
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide
SMILESC#CC(=O)N(Cc1ccccc1Cl)C(C(=O)NC1CCCC1)c1ccccc1
InChIInChI=1S/C23H23ClN2O2/c1-2-21(27)26(16-18-12-6-9-15-20(18)24)22(17-10-4-3-5-11-17)23(28)25-19-13-7-8-14-19/h1,3-6,9-12,15,19,22H,7-8,13-14,16H2,(H,25,28)
InChIKeyGKCXHHLJOZQQLB-UHFFFAOYSA-N
XLogP4.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-[1-(cyclohexylamino)-1-oxopropan-2-yl]-3,3-diphenylpropanamide
CID 132619736
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide
CID 1466138
N-[(2-chlorophenyl)methyl]-N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 3202367
(2S)-2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
CID 1437711
N-(1,3-benzodioxol-5-yl)-N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide
CID 1466116
N-[(2-chlorophenyl)methyl]-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]furan-2-carboxamide
CID 1441838
2-(4-butoxyphenyl)-2-[(2-chloroacetyl)-[(2-chlorophenyl)methyl]amino]-N-cyclohexylacetamide
CID 86810151
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide
CID 132761965
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclopentyl-3-phenylpropanamide
CID 133247823
2-[(2-chlorophenyl)methyl-(2-phenoxyacetyl)amino]-N-cyclopentyl-3-phenylpropanamide
CID 133247502
(2R)-2-[(2-chlorophenyl)methyl-(2-thiophen-3-ylacetyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 25313917
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexyl-3-phenylpropanamide
CID 133177214

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide (CID 52951265) is N-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide is C#CC(=O)N(Cc1ccccc1Cl)C(C(=O)NC1CCCC1)c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide?
The InChIKey is GKCXHHLJOZQQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-2-21(27)26(16-18-12-6-9-15-20(18)24)22(17-10-4-3-5-11-17)23(28)25-19-13-7-8-14-19/h1,3-6,9-12,15,19,22H,7-8,13-14,16H2,(H,25,28).
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide?
N-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide has a molecular weight of 394.90 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]prop-2-ynamide is sourced from PubChem (CID 52951265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).