N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide

C20H16ClNO2 — CID 7900446

IUPACN-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
SMILESCc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C20H16ClNO2/c1-14-7-10-16(13-19(14)21)22-20(23)15-8-11-18(12-9-15)24-17-5-3-2-4-6-17/h2-13H,1H3,(H,22,23)
InChIKeyLLTOWJLAFCBKJZ-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.69
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide

N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide (PubChem CID 7900446) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
PubChem CID7900446
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC NameN-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
SMILESCc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C20H16ClNO2/c1-14-7-10-16(13-19(14)21)22-20(23)15-8-11-18(12-9-15)24-17-5-3-2-4-6-17/h2-13H,1H3,(H,22,23)
InChIKeyLLTOWJLAFCBKJZ-UHFFFAOYSA-N
XLogP5.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide
CID 55835370
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
N-[(3-chloro-4-methylphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953049
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
N-(3-chloro-4-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 2284612
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
N-(3-chloro-4-methylphenyl)-4-(propanoylamino)benzamide
CID 2984948
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide (CID 7900446) is N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide is Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide?
The InChIKey is LLTOWJLAFCBKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2/c1-14-7-10-16(13-19(14)21)22-20(23)15-8-11-18(12-9-15)24-17-5-3-2-4-6-17/h2-13H,1H3,(H,22,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide?
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide has a molecular weight of 337.81 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide is sourced from PubChem (CID 7900446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).