N-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide

C15H20ClNO — CID 113272332

IUPACN-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide
SMILESO=C(NC(CCl)Cc1ccccc1)C1CCCC1
InChIInChI=1S/C15H20ClNO/c16-11-14(10-12-6-2-1-3-7-12)17-15(18)13-8-4-5-9-13/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18)
InChIKeyWZILBHZXVCYRIT-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.14
Rot. Bonds5

About N-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide

N-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide (PubChem CID 113272332) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide
PubChem CID113272332
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide
SMILESO=C(NC(CCl)Cc1ccccc1)C1CCCC1
InChIInChI=1S/C15H20ClNO/c16-11-14(10-12-6-2-1-3-7-12)17-15(18)13-8-4-5-9-13/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18)
InChIKeyWZILBHZXVCYRIT-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromo-3-phenylpropan-2-yl)cycloheptanecarboxamide
CID 114311229
2-(cyclooctanecarbonylamino)-3-phenylpropanoic acid
CID 120512134
N-(1-chloro-3-phenylpropan-2-yl)-2-methyloxolane-3-carboxamide
CID 114300283
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide
CID 107861200
(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141325
(3R)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141485
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 107861462
N-(1-hydroxy-3-phenylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 63261072
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
N-[(2S)-4-chloro-3,5-dioxo-1-phenylpentan-2-yl]cyclohexanecarboxamide
CID 54551967
1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide (CID 113272332) is N-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide is O=C(NC(CCl)Cc1ccccc1)C1CCCC1.
What is the InChIKey of N-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide?
The InChIKey is WZILBHZXVCYRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-11-14(10-12-6-2-1-3-7-12)17-15(18)13-8-4-5-9-13/h1-3,6-7,13-14H,4-5,8-11H2,(H,17,18).
What are the key properties of N-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide?
N-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide has a molecular weight of 265.78 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-phenylpropan-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 113272332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).