N-(2,6-dichloro-3-methylphenyl)-N-(1-phenylcyclopentyl)formamide

C19H19Cl2NO — CID 53446259

IUPACN-(2,6-dichloro-3-methylphenyl)-N-(1-phenylcyclopentyl)formamide
SMILESCc1ccc(Cl)c(N(C=O)C2(c3ccccc3)CCCC2)c1Cl
InChIInChI=1S/C19H19Cl2NO/c1-14-9-10-16(20)18(17(14)21)22(13-23)19(11-5-6-12-19)15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3
InChIKeyONLXONMQCYERKK-UHFFFAOYSA-N
MW348.27 g/mol
LogP5.73
Rot. Bonds4

About N-(2,6-dichloro-3-methylphenyl)-N-(1-phenylcyclopentyl)formamide

N-(2,6-dichloro-3-methylphenyl)-N-(1-phenylcyclopentyl)formamide (PubChem CID 53446259) has the molecular formula C19H19Cl2NO and a molecular weight of 348.27 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-N-(1-phenylcyclopentyl)formamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-N-(1-phenylcyclopentyl)formamide
PubChem CID53446259
Molecular FormulaC19H19Cl2NO
Molecular Weight348.27 g/mol
Exact Mass347.08
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-N-(1-phenylcyclopentyl)formamide
SMILESCc1ccc(Cl)c(N(C=O)C2(c3ccccc3)CCCC2)c1Cl
InChIInChI=1S/C19H19Cl2NO/c1-14-9-10-16(20)18(17(14)21)22(13-23)19(11-5-6-12-19)15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3
InChIKeyONLXONMQCYERKK-UHFFFAOYSA-N
XLogP5.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.27
LogP ≤ 55.73
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-(2,6-dichloro-3-methylphenyl)-N-(1-phenylcyclopentyl)formamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-N-(1-phenylcyclopentyl)formamide (CID 53446259) is N-(2,6-dichloro-3-methylphenyl)-N-(1-phenylcyclopentyl)formamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-N-(1-phenylcyclopentyl)formamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-N-(1-phenylcyclopentyl)formamide is Cc1ccc(Cl)c(N(C=O)C2(c3ccccc3)CCCC2)c1Cl.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-N-(1-phenylcyclopentyl)formamide?
The InChIKey is ONLXONMQCYERKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO/c1-14-9-10-16(20)18(17(14)21)22(13-23)19(11-5-6-12-19)15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3.
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-N-(1-phenylcyclopentyl)formamide?
N-(2,6-dichloro-3-methylphenyl)-N-(1-phenylcyclopentyl)formamide has a molecular weight of 348.27 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-N-(1-phenylcyclopentyl)formamide is sourced from PubChem (CID 53446259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).