2-chloro-2-methoxy-N-phenylbutanamide

C11H14ClNO2 — CID 21464678

IUPAC2-chloro-2-methoxy-N-phenylbutanamide
SMILESCCC(Cl)(OC)C(=O)Nc1ccccc1
InChIInChI=1S/C11H14ClNO2/c1-3-11(12,15-2)10(14)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyIUSPGALZZDBRQH-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.62
Rot. Bonds4

About 2-chloro-2-methoxy-N-phenylbutanamide

2-chloro-2-methoxy-N-phenylbutanamide (PubChem CID 21464678) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-2-methoxy-N-phenylbutanamide.

Molecular Properties

Compound Name2-chloro-2-methoxy-N-phenylbutanamide
PubChem CID21464678
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-2-methoxy-N-phenylbutanamide
SMILESCCC(Cl)(OC)C(=O)Nc1ccccc1
InChIInChI=1S/C11H14ClNO2/c1-3-11(12,15-2)10(14)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,14)
InChIKeyIUSPGALZZDBRQH-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
2,2-dichloro-N,N'-diphenylpropanediamide
CID 14712481
2-fluoro-2-methyl-N-phenylbutanamide
CID 132540278
ethyl 2-methyl-2-(phenylcarbamoyl)butanoate
CID 142008434
CID 91131464
CID 91131464
2,3-dichloro-2-methyl-N-phenylpentanamide
CID 154355250
2,2-dichloro-4-hydroxy-N-phenylbutanamide
CID 23345439
2-(4-chlorophenyl)-2-methyl-N-phenylbutanamide
CID 132525792
2-butyl-2-ethyl-N,N'-diphenylpropanediamide
CID 170847638
5-anilino-4,4-dimethyl-5-oxopentanoic acid
CID 826118
2-methyl-N-phenyl-2-propan-2-yloxypropanamide
CID 177401592
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethyl-1-N,3-N,5-N,7-N,9-N,11-N,13-N,15-N,17-N,19-N,21-N,23-N,25-N,27-N,29-N-pentadecakis-phenyltriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxamide
CID 88975553

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methoxy-N-phenylbutanamide?
The IUPAC name of 2-chloro-2-methoxy-N-phenylbutanamide (CID 21464678) is 2-chloro-2-methoxy-N-phenylbutanamide.
What is the SMILES notation for 2-chloro-2-methoxy-N-phenylbutanamide?
The canonical SMILES for 2-chloro-2-methoxy-N-phenylbutanamide is CCC(Cl)(OC)C(=O)Nc1ccccc1.
What is the InChIKey of 2-chloro-2-methoxy-N-phenylbutanamide?
The InChIKey is IUSPGALZZDBRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-11(12,15-2)10(14)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-chloro-2-methoxy-N-phenylbutanamide?
2-chloro-2-methoxy-N-phenylbutanamide has a molecular weight of 227.69 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methoxy-N-phenylbutanamide is sourced from PubChem (CID 21464678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).