N-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide

C27H24ClNO — CID 7495366

IUPACN-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(Cc1c2ccccc2cc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C27H24ClNO/c28-22-13-15-23(16-14-22)29(27(30)19-7-1-2-8-19)18-26-24-11-5-3-9-20(24)17-21-10-4-6-12-25(21)26/h3-6,9-17,19H,1-2,7-8,18H2
InChIKeyVVGYEBUAOVCFHD-UHFFFAOYSA-N
MW413.95 g/mol
LogP7.37
Rot. Bonds4

About N-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide

N-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide (PubChem CID 7495366) has the molecular formula C27H24ClNO and a molecular weight of 413.95 g/mol. Its IUPAC name is N-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide
PubChem CID7495366
Molecular FormulaC27H24ClNO
Molecular Weight413.95 g/mol
Exact Mass413.15
IUPAC NameN-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide
SMILESO=C(C1CCCC1)N(Cc1c2ccccc2cc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C27H24ClNO/c28-22-13-15-23(16-14-22)29(27(30)19-7-1-2-8-19)18-26-24-11-5-3-9-20(24)17-21-10-4-6-12-25(21)26/h3-6,9-17,19H,1-2,7-8,18H2
InChIKeyVVGYEBUAOVCFHD-UHFFFAOYSA-N
XLogP7.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.95
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(anthracen-9-ylmethyl)-N-(4-methoxyphenyl)cyclobutanecarboxamide
CID 42697707
N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 110360995
2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 62586659
N-(4-chlorophenyl)-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]cyclohexanecarboxamide
CID 50749093
2-[4-chloro-N-(piperidine-4-carbonyl)anilino]acetic acid
CID 61161669
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
1-(anthracen-9-ylmethyl)-1-(4-methylphenyl)-3-phenylurea
CID 42657103
N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]cyclopentanecarboxamide
CID 46045707
N-ethyl-N-phenylcyclobutanecarboxamide
CID 39946342
N-benzyl-N-[4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46046086
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylcyclohexanecarboxamide
CID 1385389
3-amino-N-[(4-chlorophenyl)methyl]-N-phenylcyclopentane-1-carboxamide
CID 119749158

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide?
The IUPAC name of N-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide (CID 7495366) is N-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide?
The canonical SMILES for N-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide is O=C(C1CCCC1)N(Cc1c2ccccc2cc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of N-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide?
The InChIKey is VVGYEBUAOVCFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClNO/c28-22-13-15-23(16-14-22)29(27(30)19-7-1-2-8-19)18-26-24-11-5-3-9-20(24)17-21-10-4-6-12-25(21)26/h3-6,9-17,19H,1-2,7-8,18H2.
What are the key properties of N-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide?
N-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide has a molecular weight of 413.95 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(anthracen-9-ylmethyl)-N-(4-chlorophenyl)cyclopentanecarboxamide is sourced from PubChem (CID 7495366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).