N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide

C17H18ClNO3 — CID 26907594

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)c2ccccc2Cl)c(OC)c1
InChIInChI=1S/C17H18ClNO3/c1-11(13-6-4-5-7-15(13)18)19-17(20)14-9-8-12(21-2)10-16(14)22-3/h4-11H,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyMENBJWXFEUBORI-NSHDSACASA-N
MW319.79 g/mol
LogP3.85
Rot. Bonds5

About N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide

N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide (PubChem CID 26907594) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide
PubChem CID26907594
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)c2ccccc2Cl)c(OC)c1
InChIInChI=1S/C17H18ClNO3/c1-11(13-6-4-5-7-15(13)18)19-17(20)14-9-8-12(21-2)10-16(14)22-3/h4-11H,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeyMENBJWXFEUBORI-NSHDSACASA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-2-fluoro-4-methoxybenzamide
CID 86906510
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 26907621
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
CID 7366697
2,6-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 86846897

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide (CID 26907594) is N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)N[C@@H](C)c2ccccc2Cl)c(OC)c1.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide?
The InChIKey is MENBJWXFEUBORI-NSHDSACASA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-11(13-6-4-5-7-15(13)18)19-17(20)14-9-8-12(21-2)10-16(14)22-3/h4-11H,1-3H3,(H,19,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide?
N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide has a molecular weight of 319.79 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 26907594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).