1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide

C20H27ClN2O3 — CID 42920333

IUPAC1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCOC1CCCCC1)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C20H27ClN2O3/c21-17-9-4-5-10-18(17)23-14-15(13-19(23)24)20(25)22-11-6-12-26-16-7-2-1-3-8-16/h4-5,9-10,15-16H,1-3,6-8,11-14H2,(H,22,25)
InChIKeyBFDBUGIHMFQAFP-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.55
Rot. Bonds7

About 1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide

1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42920333) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42920333
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCCOC1CCCCC1)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C20H27ClN2O3/c21-17-9-4-5-10-18(17)23-14-15(13-19(23)24)20(25)22-11-6-12-26-16-7-2-1-3-8-16/h4-5,9-10,15-16H,1-3,6-8,11-14H2,(H,22,25)
InChIKeyBFDBUGIHMFQAFP-UHFFFAOYSA-N
XLogP3.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexyloxypropyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55408232
N-(3-cyclohexyloxypropyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55556645
1-(2-chlorophenyl)-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119429656
(3R)-1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 26644337
N-[3-(1H-benzimidazol-2-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 134009710
(3S)-1-(2-chlorophenyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 95127313
N-[3-(benzimidazol-1-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 24553343
1-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 51159436
(3R)-1-(2,3-dichlorophenyl)-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 124750267
1-(2-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113187381
N-(3-chloropropyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080703
1-(2-ethoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 55407338

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide (CID 42920333) is 1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCCCOC1CCCCC1)C1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BFDBUGIHMFQAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c21-17-9-4-5-10-18(17)23-14-15(13-19(23)24)20(25)22-11-6-12-26-16-7-2-1-3-8-16/h4-5,9-10,15-16H,1-3,6-8,11-14H2,(H,22,25).
What are the key properties of 1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 378.90 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(3-cyclohexyloxypropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42920333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).