2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide

C17H18ClNO2 — CID 26009266

IUPAC2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-11-8-9-16(21-3)14(10-11)12(2)19-17(20)13-6-4-5-7-15(13)18/h4-10,12H,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyVYFBNKPFPPRDAH-GFCCVEGCSA-N
MW303.79 g/mol
LogP4.15
Rot. Bonds4

About 2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide

2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide (PubChem CID 26009266) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
PubChem CID26009266
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c1-11-8-9-16(21-3)14(10-11)12(2)19-17(20)13-6-4-5-7-15(13)18/h4-10,12H,1-3H3,(H,19,20)/t12-/m1/s1
InChIKeyVYFBNKPFPPRDAH-GFCCVEGCSA-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

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide
CID 18200468
2-chloro-6-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212285
2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212488
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81374122
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
2-chloro-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883056
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide (CID 26009266) is 2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide is COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
The InChIKey is VYFBNKPFPPRDAH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11-8-9-16(21-3)14(10-11)12(2)19-17(20)13-6-4-5-7-15(13)18/h4-10,12H,1-3H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide?
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide 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 2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 26009266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).