(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide

C18H20ClNO2 — CID 9173431

IUPAC(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
SMILESCC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-17(22-16-10-8-15(19)9-11-16)18(21)20-12-14-6-4-13(2)5-7-14/h4-11,17H,3,12H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyQCWVQOXAEIEOGD-QGZVFWFLSA-N
MW317.82 g/mol
LogP4.12
Rot. Bonds6

About (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide

(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 9173431) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
PubChem CID9173431
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
SMILESCC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-17(22-16-10-8-15(19)9-11-16)18(21)20-12-14-6-4-13(2)5-7-14/h4-11,17H,3,12H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyQCWVQOXAEIEOGD-QGZVFWFLSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 13232165
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 7450116
2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 132652045
(2S)-N-[(4-chlorophenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 99131305
2-(4-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218872
N-[(2,4-dichlorophenyl)methyl]-2-(4-methylphenoxy)butanamide
CID 54776466
N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 43876560
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 28575311
(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 29419335

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide (CID 9173431) is (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide is CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is QCWVQOXAEIEOGD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-3-17(22-16-10-8-15(19)9-11-16)18(21)20-12-14-6-4-13(2)5-7-14/h4-11,17H,3,12H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide?
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 317.82 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 9173431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).