1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide

C24H29ClN2O2 — CID 30777999

IUPAC1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C24H29ClN2O2/c1-26(18-19-6-2-3-7-22(19)27-14-16-29-17-15-27)23(28)24(12-4-5-13-24)20-8-10-21(25)11-9-20/h2-3,6-11H,4-5,12-18H2,1H3
InChIKeyLLMIDAJUAZWFJR-UHFFFAOYSA-N
MW412.96 g/mol
LogP4.65
Rot. Bonds5

About 1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 30777999) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID30777999
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C24H29ClN2O2/c1-26(18-19-6-2-3-7-22(19)27-14-16-29-17-15-27)23(28)24(12-4-5-13-24)20-8-10-21(25)11-9-20/h2-3,6-11H,4-5,12-18H2,1H3
InChIKeyLLMIDAJUAZWFJR-UHFFFAOYSA-N
XLogP4.65
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-hydroxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907045
4-(aminomethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 120938284
(3R)-N,3-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 124685882
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 9110944
1-hydroxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907044
(3R)-1-(4-chlorobenzoyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 41154900
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
CID 39913975
2-(4-chloro-2-methylphenoxy)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 17465759
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-chlorophenyl)-N-methylcyclobutane-1-carboxamide
CID 9168076
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 24551688

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide (CID 30777999) is 1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide is CN(Cc1ccccc1N1CCOCC1)C(=O)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is LLMIDAJUAZWFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O2/c1-26(18-19-6-2-3-7-22(19)27-14-16-29-17-15-27)23(28)24(12-4-5-13-24)20-8-10-21(25)11-9-20/h2-3,6-11H,4-5,12-18H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 412.96 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 30777999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).