N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide

C20H16ClNO2 — CID 2092667

IUPACN-(3-chloro-2-methylphenyl)-3-phenoxybenzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H16ClNO2/c1-14-18(21)11-6-12-19(14)22-20(23)15-7-5-10-17(13-15)24-16-8-3-2-4-9-16/h2-13H,1H3,(H,22,23)
InChIKeyWKYYBBPJOCIPMV-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.69
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide

N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide (PubChem CID 2092667) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-phenoxybenzamide
PubChem CID2092667
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC NameN-(3-chloro-2-methylphenyl)-3-phenoxybenzamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H16ClNO2/c1-14-18(21)11-6-12-19(14)22-20(23)15-7-5-10-17(13-15)24-16-8-3-2-4-9-16/h2-13H,1H3,(H,22,23)
InChIKeyWKYYBBPJOCIPMV-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

N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
4-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]benzamide
CID 56545392
N-(2-tert-butylphenyl)-3-phenoxybenzamide
CID 7920156
N-(2-cyanophenyl)-3-phenoxybenzamide
CID 17167885
3-carbamothioyl-N-(3-chloro-2-methylphenyl)benzamide
CID 29302193
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride
CID 110756419
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide
CID 886785

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide (CID 2092667) is N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide is Cc1c(Cl)cccc1NC(=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide?
The InChIKey is WKYYBBPJOCIPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2/c1-14-18(21)11-6-12-19(14)22-20(23)15-7-5-10-17(13-15)24-16-8-3-2-4-9-16/h2-13H,1H3,(H,22,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide?
N-(3-chloro-2-methylphenyl)-3-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-2-methylphenyl)-3-phenoxybenzamide is sourced from PubChem (CID 2092667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).