N-(2-chlorophenyl)-N-(4-methylphenyl)formamide

C14H12ClNO — CID 86175020

IUPACN-(2-chlorophenyl)-N-(4-methylphenyl)formamide
SMILESCc1ccc(N(C=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNO/c1-11-6-8-12(9-7-11)16(10-17)14-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyLQWCJBJAWCQYSP-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.94
Rot. Bonds3

About N-(2-chlorophenyl)-N-(4-methylphenyl)formamide

N-(2-chlorophenyl)-N-(4-methylphenyl)formamide (PubChem CID 86175020) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-(4-methylphenyl)formamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-(4-methylphenyl)formamide
PubChem CID86175020
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC NameN-(2-chlorophenyl)-N-(4-methylphenyl)formamide
SMILESCc1ccc(N(C=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNO/c1-11-6-8-12(9-7-11)16(10-17)14-5-3-2-4-13(14)15/h2-10H,1H3
InChIKeyLQWCJBJAWCQYSP-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.94
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-chlorophenyl)-N-(4-methylphenyl)formamide?
The IUPAC name of N-(2-chlorophenyl)-N-(4-methylphenyl)formamide (CID 86175020) is N-(2-chlorophenyl)-N-(4-methylphenyl)formamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-(4-methylphenyl)formamide?
The canonical SMILES for N-(2-chlorophenyl)-N-(4-methylphenyl)formamide is Cc1ccc(N(C=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-N-(4-methylphenyl)formamide?
The InChIKey is LQWCJBJAWCQYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-11-6-8-12(9-7-11)16(10-17)14-5-3-2-4-13(14)15/h2-10H,1H3.
What are the key properties of N-(2-chlorophenyl)-N-(4-methylphenyl)formamide?
N-(2-chlorophenyl)-N-(4-methylphenyl)formamide has a molecular weight of 245.71 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-(4-methylphenyl)formamide is sourced from PubChem (CID 86175020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).