2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide

C19H22ClNO2 — CID 13232165

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H22ClNO2/c1-4-18(23-16-9-10-17(20)14(3)11-16)19(22)21-12-15-7-5-13(2)6-8-15/h5-11,18H,4,12H2,1-3H3,(H,21,22)
InChIKeyNYELTYMWHKZJHA-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.43
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide

2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 13232165) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
PubChem CID13232165
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H22ClNO2/c1-4-18(23-16-9-10-17(20)14(3)11-16)19(22)21-12-15-7-5-13(2)6-8-15/h5-11,18H,4,12H2,1-3H3,(H,21,22)
InChIKeyNYELTYMWHKZJHA-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53289156
2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53289034
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 99133193
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 99133250
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972
2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 132663080
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 43876560
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 28575311
2-(4-chloro-3-methylphenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 132661134
2-(4-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 132652045

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide (CID 13232165) is 2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide is CCC(Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is NYELTYMWHKZJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-4-18(23-16-9-10-17(20)14(3)11-16)19(22)21-12-15-7-5-13(2)6-8-15/h5-11,18H,4,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide?
2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 331.84 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 13232165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).