N-[(4-chlorophenyl)methyl]-2-phenoxybenzamide

C20H16ClNO2 — CID 797976

IUPACN-[(4-chlorophenyl)methyl]-2-phenoxybenzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H16ClNO2/c21-16-12-10-15(11-13-16)14-22-20(23)18-8-4-5-9-19(18)24-17-6-2-1-3-7-17/h1-13H,14H2,(H,22,23)
InChIKeyLPGGMRAUGFUFMF-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.06
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-phenoxybenzamide

N-[(4-chlorophenyl)methyl]-2-phenoxybenzamide (PubChem CID 797976) has the molecular formula C20H16ClNO2 and a molecular weight of 337.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-phenoxybenzamide
PubChem CID797976
Molecular FormulaC20H16ClNO2
Molecular Weight337.81 g/mol
Exact Mass337.09
IUPAC NameN-[(4-chlorophenyl)methyl]-2-phenoxybenzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H16ClNO2/c21-16-12-10-15(11-13-16)14-22-20(23)18-8-4-5-9-19(18)24-17-6-2-1-3-7-17/h1-13H,14H2,(H,22,23)
InChIKeyLPGGMRAUGFUFMF-UHFFFAOYSA-N
XLogP5.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Sb-743921
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N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
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2-[2-[[1-(3-Chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl]methylamino]ethoxy]benzamide
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2-chloro-N-(2-phenoxyethyl)benzamide
CID 602767
2-ethoxy-N-{2-[(2-ethoxybenzoyl)amino]ethyl}benzamide
CID 1769368
3-(4-chlorophenyl)-1,4-benzoxazepin-5(4H)-one
CID 1478113
2-Methoxy-N-(phenylmethyl)benzamide
CID 700577
5-chloro-2-methoxy-N-(2-phenylethyl)benzamide
CID 118575
N-(4-chlorobenzyl)-2-oxo-2H-chromene-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-phenoxybenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-phenoxybenzamide (CID 797976) is N-[(4-chlorophenyl)methyl]-2-phenoxybenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-phenoxybenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-phenoxybenzamide is O=C(NCc1ccc(Cl)cc1)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-phenoxybenzamide?
The InChIKey is LPGGMRAUGFUFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2/c21-16-12-10-15(11-13-16)14-22-20(23)18-8-4-5-9-19(18)24-17-6-2-1-3-7-17/h1-13H,14H2,(H,22,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-phenoxybenzamide?
N-[(4-chlorophenyl)methyl]-2-phenoxybenzamide has a molecular weight of 337.81 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-phenoxybenzamide is sourced from PubChem (CID 797976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).