N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide

C16H16ClNO3 — CID 2993738

IUPACN-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(C)c2OC)cc1Cl
InChIInChI=1S/C16H16ClNO3/c1-10-5-4-6-12(15(10)21-3)16(19)18-11-7-8-14(20-2)13(17)9-11/h4-9H,1-3H3,(H,18,19)
InChIKeyYTNNWKTUXMHNKF-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.92
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide

N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide (PubChem CID 2993738) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide
PubChem CID2993738
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(C)c2OC)cc1Cl
InChIInChI=1S/C16H16ClNO3/c1-10-5-4-6-12(15(10)21-3)16(19)18-11-7-8-14(20-2)13(17)9-11/h4-9H,1-3H3,(H,18,19)
InChIKeyYTNNWKTUXMHNKF-UHFFFAOYSA-N
XLogP3.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide
CID 26901544
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 6461050
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide
CID 107019946
N-(4-chloro-3-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 107271805
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355423
N-(3-chloro-4-methoxyphenyl)-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849160
N-[4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2-methylbenzamide
CID 22783140
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-3-methylbenzamide
CID 2996052
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 2185661
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530
N-(3-chloro-4-methoxyphenyl)-4-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19486037
N-[4-(1,3-dioxoisoindol-2-yl)-3-methoxyphenyl]-2-methoxy-3-methylbenzamide
CID 22776594

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide (CID 2993738) is N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide is COc1ccc(NC(=O)c2cccc(C)c2OC)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide?
The InChIKey is YTNNWKTUXMHNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10-5-4-6-12(15(10)21-3)16(19)18-11-7-8-14(20-2)13(17)9-11/h4-9H,1-3H3,(H,18,19).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide?
N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide has a molecular weight of 305.76 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-methoxy-3-methylbenzamide is sourced from PubChem (CID 2993738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).