1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)cyclopentane-1-carboxamide

C22H24ClNO2 — CID 55394817

IUPAC1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(NCC1COc2ccccc2C1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C22H24ClNO2/c23-19-9-7-18(8-10-19)22(11-3-4-12-22)21(25)24-14-16-13-17-5-1-2-6-20(17)26-15-16/h1-2,5-10,16H,3-4,11-15H2,(H,24,25)
InChIKeyHKSWOAQARRQFHB-UHFFFAOYSA-N
MW369.89 g/mol
LogP4.52
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)cyclopentane-1-carboxamide (PubChem CID 55394817) has the molecular formula C22H24ClNO2 and a molecular weight of 369.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)cyclopentane-1-carboxamide
PubChem CID55394817
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC Name1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)cyclopentane-1-carboxamide
SMILESO=C(NCC1COc2ccccc2C1)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C22H24ClNO2/c23-19-9-7-18(8-10-19)22(11-3-4-12-22)21(25)24-14-16-13-17-5-1-2-6-20(17)26-15-16/h1-2,5-10,16H,3-4,11-15H2,(H,24,25)
InChIKeyHKSWOAQARRQFHB-UHFFFAOYSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 97444843
4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-iodobenzamide
CID 43077937
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide
CID 790018
4-chloro-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzenesulfonamide
CID 51238108
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide
CID 51212134
5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide
CID 51212142
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide
CID 94513083

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)cyclopentane-1-carboxamide (CID 55394817) is 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)cyclopentane-1-carboxamide is O=C(NCC1COc2ccccc2C1)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)cyclopentane-1-carboxamide?
The InChIKey is HKSWOAQARRQFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO2/c23-19-9-7-18(8-10-19)22(11-3-4-12-22)21(25)24-14-16-13-17-5-1-2-6-20(17)26-15-16/h1-2,5-10,16H,3-4,11-15H2,(H,24,25).
What are the key properties of 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)cyclopentane-1-carboxamide has a molecular weight of 369.89 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 55394817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).