N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide

C16H14Cl2N2O2 — CID 3286740

IUPACN-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-9-3-5-12(19-10(2)21)8-15(9)20-16(22)13-6-4-11(17)7-14(13)18/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyBTJBQISFHKZXRD-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.51
Rot. Bonds3

About N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide

N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide (PubChem CID 3286740) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide
PubChem CID3286740
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC NameN-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2N2O2/c1-9-3-5-12(19-10(2)21)8-15(9)20-16(22)13-6-4-11(17)7-14(13)18/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyBTJBQISFHKZXRD-UHFFFAOYSA-N
XLogP4.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
4-amino-2-chloro-N-(5-chloro-2-methylphenyl)benzamide
CID 24689889
N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide
CID 46465631
N-[3-[(4-chloro-2-methylphenyl)carbamothioylamino]-4-methylphenyl]acetamide
CID 2796884
4-chloro-N-(5-iodo-2-methylphenyl)-2-methylbenzamide
CID 114257099
2,4-dichloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 849254
2-chloro-N-(4-chloro-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 28580400
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide
CID 2850372
N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 54539819
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
5-acetamido-2-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 885622

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide (CID 3286740) is N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide is CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide?
The InChIKey is BTJBQISFHKZXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-9-3-5-12(19-10(2)21)8-15(9)20-16(22)13-6-4-11(17)7-14(13)18/h3-8H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide?
N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide has a molecular weight of 337.21 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-2,4-dichlorobenzamide is sourced from PubChem (CID 3286740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).