N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide

C17H18ClNO — CID 8751575

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C17H18ClNO/c1-11-5-4-6-16(12(11)2)17(20)19-13(3)14-7-9-15(18)10-8-14/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyISTSBYZKYGARHN-CYBMUJFWSA-N
MW287.79 g/mol
LogP4.45
Rot. Bonds3

About N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide (PubChem CID 8751575) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide
PubChem CID8751575
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C17H18ClNO/c1-11-5-4-6-16(12(11)2)17(20)19-13(3)14-7-9-15(18)10-8-14/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyISTSBYZKYGARHN-CYBMUJFWSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242817
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-iodobenzamide
CID 2242814
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
CID 24819432
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-but-3-yn-2-yl-2,3-dimethylbenzamide
CID 114389941
N-(1-chloropropan-2-yl)-2,3-dimethylbenzamide
CID 114299454
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 25443183

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide (CID 8751575) is N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c1C.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide?
The InChIKey is ISTSBYZKYGARHN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-11-5-4-6-16(12(11)2)17(20)19-13(3)14-7-9-15(18)10-8-14/h4-10,13H,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide has a molecular weight of 287.79 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 8751575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).