3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide

C11H14ClNO2 — CID 110618089

IUPAC3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide
SMILESCONC(=O)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-8(11(14)13-15-2)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyHNEVTRAHZYUTOG-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.20
Rot. Bonds4

About 3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide

3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide (PubChem CID 110618089) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide
PubChem CID110618089
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide
SMILESCONC(=O)C(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c1-8(11(14)13-15-2)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyHNEVTRAHZYUTOG-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
methyl 4-(4-chlorophenyl)-3-methyl-2-oxobutanoate
CID 123596283
methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate
CID 89299505
methyl 3-(4-chlorophenyl)-2-(propan-2-ylamino)propanoate
CID 58866289
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422
N-[3,4-bis(4-chlorophenyl)butan-2-yl]-3-(4-chlorophenyl)-2-methylpropanamide
CID 22270527
3-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 110298822
3-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110298815
1,3-bis(4-chlorophenyl)-2-methylpropan-1-one
CID 86090557
methyl (2R)-3-(4-chlorophenyl)-2-isocyanopropanoate
CID 97291393
(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 793554
methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate
CID 57045701

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide (CID 110618089) is 3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide is CONC(=O)C(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide?
The InChIKey is HNEVTRAHZYUTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8(11(14)13-15-2)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of 3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide?
3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide has a molecular weight of 227.69 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide is sourced from PubChem (CID 110618089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).