N-(2-chloro-6-methylphenyl)-N-(1-phenylcyclopentyl)formamide

C19H20ClNO — CID 53446278

IUPACN-(2-chloro-6-methylphenyl)-N-(1-phenylcyclopentyl)formamide
SMILESCc1cccc(Cl)c1N(C=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H20ClNO/c1-15-8-7-11-17(20)18(15)21(14-22)19(12-5-6-13-19)16-9-3-2-4-10-16/h2-4,7-11,14H,5-6,12-13H2,1H3
InChIKeyWWKRMBMCYZNXFB-UHFFFAOYSA-N
MW313.83 g/mol
LogP5.08
Rot. Bonds4

About N-(2-chloro-6-methylphenyl)-N-(1-phenylcyclopentyl)formamide

N-(2-chloro-6-methylphenyl)-N-(1-phenylcyclopentyl)formamide (PubChem CID 53446278) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-N-(1-phenylcyclopentyl)formamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-N-(1-phenylcyclopentyl)formamide
PubChem CID53446278
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC NameN-(2-chloro-6-methylphenyl)-N-(1-phenylcyclopentyl)formamide
SMILESCc1cccc(Cl)c1N(C=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C19H20ClNO/c1-15-8-7-11-17(20)18(15)21(14-22)19(12-5-6-13-19)16-9-3-2-4-10-16/h2-4,7-11,14H,5-6,12-13H2,1H3
InChIKeyWWKRMBMCYZNXFB-UHFFFAOYSA-N
XLogP5.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.83
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-N-(1-phenylcyclopentyl)formamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-N-(1-phenylcyclopentyl)formamide (CID 53446278) is N-(2-chloro-6-methylphenyl)-N-(1-phenylcyclopentyl)formamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-N-(1-phenylcyclopentyl)formamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-N-(1-phenylcyclopentyl)formamide is Cc1cccc(Cl)c1N(C=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-N-(1-phenylcyclopentyl)formamide?
The InChIKey is WWKRMBMCYZNXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-15-8-7-11-17(20)18(15)21(14-22)19(12-5-6-13-19)16-9-3-2-4-10-16/h2-4,7-11,14H,5-6,12-13H2,1H3.
What are the key properties of N-(2-chloro-6-methylphenyl)-N-(1-phenylcyclopentyl)formamide?
N-(2-chloro-6-methylphenyl)-N-(1-phenylcyclopentyl)formamide has a molecular weight of 313.83 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-N-(1-phenylcyclopentyl)formamide is sourced from PubChem (CID 53446278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).