3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide

C18H20ClNO2 — CID 133210299

IUPAC3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide
SMILESCCc1ccc(C(C)NC(=O)c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO2/c1-4-13-5-7-14(8-6-13)12(2)20-18(21)15-9-10-17(22-3)16(19)11-15/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyATPXBTYKKJEPQJ-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.40
Rot. Bonds5

About 3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide

3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide (PubChem CID 133210299) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide
PubChem CID133210299
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide
SMILESCCc1ccc(C(C)NC(=O)c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO2/c1-4-13-5-7-14(8-6-13)12(2)20-18(21)15-9-10-17(22-3)16(19)11-15/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyATPXBTYKKJEPQJ-UHFFFAOYSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133256897
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide
CID 133187560
N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46654068
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 100648795
4-chloro-N-[1-(4-ethylphenyl)ethyl]-3-nitrobenzamide
CID 17326814
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-3-(methoxymethyl)benzamide
CID 133179095
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236029
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide (CID 133210299) is 3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide is CCc1ccc(C(C)NC(=O)c2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide?
The InChIKey is ATPXBTYKKJEPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-4-13-5-7-14(8-6-13)12(2)20-18(21)15-9-10-17(22-3)16(19)11-15/h5-12H,4H2,1-3H3,(H,20,21).
What are the key properties of 3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide?
3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide has a molecular weight of 317.82 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 133210299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).