2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide

C21H17ClN2O3 — CID 55835370

IUPAC2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide
SMILESCNC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C21H17ClN2O3/c1-23-21(26)18-13-15(9-12-19(18)22)24-20(25)14-7-10-17(11-8-14)27-16-5-3-2-4-6-16/h2-13H,1H3,(H,23,26)(H,24,25)
InChIKeyFZDZENGOTZTPPS-UHFFFAOYSA-N
MW380.83 g/mol
LogP4.74
Rot. Bonds5

About 2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide

2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide (PubChem CID 55835370) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide
PubChem CID55835370
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide
SMILESCNC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C21H17ClN2O3/c1-23-21(26)18-13-15(9-12-19(18)22)24-20(25)14-7-10-17(11-8-14)27-16-5-3-2-4-6-16/h2-13H,1H3,(H,23,26)(H,24,25)
InChIKeyFZDZENGOTZTPPS-UHFFFAOYSA-N
XLogP4.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
4-chloro-3-(methylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 9413651
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide
CID 4507863
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide
CID 52666272
4-[(4-phenoxybenzoyl)amino]benzoate
CID 6953062
2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17188518
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
4-[(2-chlorophenyl)methoxy]-N-(4-phenoxyphenyl)benzamide
CID 19916426

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide?
The IUPAC name of 2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide (CID 55835370) is 2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide is CNC(=O)c1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide?
The InChIKey is FZDZENGOTZTPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c1-23-21(26)18-13-15(9-12-19(18)22)24-20(25)14-7-10-17(11-8-14)27-16-5-3-2-4-6-16/h2-13H,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide?
2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide has a molecular weight of 380.83 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-[(4-phenoxybenzoyl)amino]benzamide is sourced from PubChem (CID 55835370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).