3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide

C17H18ClNO2 — CID 960097

IUPAC3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-4-12-7-5-6-11(2)16(12)19-17(20)13-8-9-15(21-3)14(18)10-13/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyMMWMHLFFWOXGER-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.47
Rot. Bonds4

About 3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide

3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide (PubChem CID 960097) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
PubChem CID960097
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H18ClNO2/c1-4-12-7-5-6-11(2)16(12)19-17(20)13-8-9-15(21-3)14(18)10-13/h5-10H,4H2,1-3H3,(H,19,20)
InChIKeyMMWMHLFFWOXGER-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-6-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 717977
N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 44637774
methyl 3-chloro-4-[2-(2-ethyl-6-methylanilino)-2-oxoethoxy]benzoate
CID 55320823
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112996997
N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide
CID 2665532
N-(2-ethyl-6-methylphenyl)-3,4-dihydroxybenzamide
CID 113199272
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095
N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide
CID 4936097
3,6-dichloro-N-(2-ethyl-6-methylphenyl)-2-methoxybenzamide
CID 2788457
N-(2-ethyl-6-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209862
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126144522

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide (CID 960097) is 3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide is CCc1cccc(C)c1NC(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide?
The InChIKey is MMWMHLFFWOXGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-4-12-7-5-6-11(2)16(12)19-17(20)13-8-9-15(21-3)14(18)10-13/h5-10H,4H2,1-3H3,(H,19,20).
What are the key properties of 3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide?
3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide has a molecular weight of 303.79 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxybenzamide is sourced from PubChem (CID 960097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).