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

C18H20ClNO2 — CID 92683061

IUPAC(2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-16(22-17-7-5-4-6-15(17)19)18(21)20-12-14-10-8-13(2)9-11-14/h4-11,16H,3,12H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyHTBXHHJZRMVCGX-INIZCTEOSA-N
MW317.82 g/mol
LogP4.12
Rot. Bonds6

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

(2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 92683061) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
PubChem CID92683061
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C18H20ClNO2/c1-3-16(22-17-7-5-4-6-15(17)19)18(21)20-12-14-10-8-13(2)9-11-14/h4-11,16H,3,12H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyHTBXHHJZRMVCGX-INIZCTEOSA-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)-N-[(4-methylphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92646424
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015212
2-(2-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 46767921
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 133239938
2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide
CID 17328424
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chlorophenoxy)butanamide
CID 43907223
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 13232165
(2R)-2-(2-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 100536953
2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide
CID 132762013
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 28575311
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide (CID 92683061) is (2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide is CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is HTBXHHJZRMVCGX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-3-16(22-17-7-5-4-6-15(17)19)18(21)20-12-14-10-8-13(2)9-11-14/h4-11,16H,3,12H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide?
(2S)-2-(2-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 (2S)-2-(2-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 92683061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).