N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide

C17H18ClNO2 — CID 134013068

IUPACN-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C17H18ClNO2/c1-11-4-5-14(10-16(11)21-3)17(20)19-12(2)13-6-8-15(18)9-7-13/h4-10,12H,1-3H3,(H,19,20)
InChIKeyARWNAVHGGLMGQC-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.15
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide

N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide (PubChem CID 134013068) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
PubChem CID134013068
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C17H18ClNO2/c1-11-4-5-14(10-16(11)21-3)17(20)19-12(2)13-6-8-15(18)9-7-13/h4-10,12H,1-3H3,(H,19,20)
InChIKeyARWNAVHGGLMGQC-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597
3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26958285
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide
CID 133187560
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide
CID 133179095
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096
N-[1-(4-chlorophenyl)ethyl]-3-[(4-chlorophenyl)sulfanylmethyl]-4-methoxybenzamide
CID 133179087

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide (CID 134013068) is N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NC(C)c2ccc(Cl)cc2)ccc1C.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide?
The InChIKey is ARWNAVHGGLMGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11-4-5-14(10-16(11)21-3)17(20)19-12(2)13-6-8-15(18)9-7-13/h4-10,12H,1-3H3,(H,19,20).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide?
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide has a molecular weight of 303.79 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 134013068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).