2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide

C19H22ClNO2 — CID 3603166

IUPAC2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCOc1cccc(CNC(=O)C(c2ccc(Cl)cc2)C(C)C)c1
InChIInChI=1S/C19H22ClNO2/c1-13(2)18(15-7-9-16(20)10-8-15)19(22)21-12-14-5-4-6-17(11-14)23-3/h4-11,13,18H,12H2,1-3H3,(H,21,22)
InChIKeyLJVBCXIUNMIIHN-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.40
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide

2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide (PubChem CID 3603166) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
PubChem CID3603166
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCOc1cccc(CNC(=O)C(c2ccc(Cl)cc2)C(C)C)c1
InChIInChI=1S/C19H22ClNO2/c1-13(2)18(15-7-9-16(20)10-8-15)19(22)21-12-14-5-4-6-17(11-14)23-3/h4-11,13,18H,12H2,1-3H3,(H,21,22)
InChIKeyLJVBCXIUNMIIHN-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea
CID 46493902
(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 79013389
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
N-[(3-methoxyphenyl)methyl]-3-methyl-2-(methylaminomethyl)butanamide
CID 115187724
(2R)-2-acetamido-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 9495719
(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
2-amino-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 106151129
2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 60873373
(E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 7921016
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 53284365
2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 4264169

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide (CID 3603166) is 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide is COc1cccc(CNC(=O)C(c2ccc(Cl)cc2)C(C)C)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide?
The InChIKey is LJVBCXIUNMIIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-13(2)18(15-7-9-16(20)10-8-15)19(22)21-12-14-5-4-6-17(11-14)23-3/h4-11,13,18H,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide?
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide has a molecular weight of 331.84 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 3603166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).