(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide

C17H18ClNO2 — CID 879700

IUPAC(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C17H18ClNO2/c1-3-16(21-14-7-5-4-6-8-14)17(20)19-15-11-13(18)10-9-12(15)2/h4-11,16H,3H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyNQFAKIBZLNMPBA-MRXNPFEDSA-N
MW303.79 g/mol
LogP4.44
Rot. Bonds5

About (2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide

(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide (PubChem CID 879700) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
PubChem CID879700
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C17H18ClNO2/c1-3-16(21-14-7-5-4-6-8-14)17(20)19-15-11-13(18)10-9-12(15)2/h4-11,16H,3H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyNQFAKIBZLNMPBA-MRXNPFEDSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435
(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide
CID 871725
2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 132653123
2-(3-chlorophenoxy)-N-(2,5-dimethylphenyl)butanamide
CID 43905074
(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 9173655
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
N-(2,5-dichlorophenyl)-2-(3-methylphenoxy)butanamide
CID 4928572
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92681200
N-(3,5-dichlorophenyl)-2-phenoxybutanamide
CID 4099409
(2R)-N-(5-chloro-2-phenoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 92685827
N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 46772626

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide (CID 879700) is (2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide is CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of (2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide?
The InChIKey is NQFAKIBZLNMPBA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-3-16(21-14-7-5-4-6-8-14)17(20)19-15-11-13(18)10-9-12(15)2/h4-11,16H,3H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide?
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide has a molecular weight of 303.79 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide is sourced from PubChem (CID 879700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).