N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide

C17H18ClNO3 — CID 3894156

IUPACN-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OC
InChIInChI=1S/C17H18ClNO3/c1-4-22-15-8-6-12(9-16(15)21-3)17(20)19-13-7-5-11(2)14(18)10-13/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyGGTBLHOOVZXVID-UHFFFAOYSA-N
MW319.79 g/mol
LogP4.31
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide

N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide (PubChem CID 3894156) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
PubChem CID3894156
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OC
InChIInChI=1S/C17H18ClNO3/c1-4-22-15-8-6-12(9-16(15)21-3)17(20)19-13-7-5-11(2)14(18)10-13/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyGGTBLHOOVZXVID-UHFFFAOYSA-N
XLogP4.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 2187837
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 104782321
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3-chloro-4-methylphenyl)-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26087154
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethoxy-3-methoxybenzamide
CID 55799038
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-3-methoxybenzoate
CID 2637238
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
N-[2-chloro-5-(methylcarbamoyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 87004486

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide (CID 3894156) is N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OC.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide?
The InChIKey is GGTBLHOOVZXVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-4-22-15-8-6-12(9-16(15)21-3)17(20)19-13-7-5-11(2)14(18)10-13/h5-10H,4H2,1-3H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide?
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide has a molecular weight of 319.79 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide is sourced from PubChem (CID 3894156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).