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

C19H22ClNO3 — CID 53289156

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C19H22ClNO3/c1-4-18(24-16-9-10-17(20)13(2)11-16)19(22)21-12-14-5-7-15(23-3)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,21,22)
InChIKeyDGPZZXRCANEMSV-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.13
Rot. Bonds7

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

2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide (PubChem CID 53289156) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
PubChem CID53289156
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCCC(Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C19H22ClNO3/c1-4-18(24-16-9-10-17(20)13(2)11-16)19(22)21-12-14-5-7-15(23-3)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,21,22)
InChIKeyDGPZZXRCANEMSV-UHFFFAOYSA-N
XLogP4.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 13232165
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
2-(4-chloro-3-methylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 132663080
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 53284365
2-[(4,6-dichloro-3-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]butanamide
CID 89392118
N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133185836
2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53284415

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide (CID 53289156) is 2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide is CCC(Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide?
The InChIKey is DGPZZXRCANEMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-4-18(24-16-9-10-17(20)13(2)11-16)19(22)21-12-14-5-7-15(23-3)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide?
2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide has a molecular weight of 347.84 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 53289156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).