3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide

C16H16ClNO2 — CID 70262105

IUPAC3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide
SMILESCC(CCl)(Oc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-16(12-17,20-14-10-6-3-7-11-14)15(19)18-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,19)
InChIKeyWMZIENCPSYETIN-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.70
Rot. Bonds5

About 3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide

3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide (PubChem CID 70262105) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide
PubChem CID70262105
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide
SMILESCC(CCl)(Oc1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16ClNO2/c1-16(12-17,20-14-10-6-3-7-11-14)15(19)18-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,19)
InChIKeyWMZIENCPSYETIN-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.70
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-[1-anilino-2,5-dichloro-4-(chloromethyl)-4-methyl-1,3-dioxopentan-2-yl]oxybenzoic acid
CID 21494930
3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide
CID 63680730
3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
N-(4-bromophenyl)-2-methyl-2-phenoxypropanamide
CID 11858792
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
5-anilino-4,4-dimethyl-5-oxopentanoic acid
CID 826118
3-[(3-chloro-2,2-dimethylpropanoyl)amino]benzoic acid
CID 63679590
N-(4-acetylphenyl)-2,2-difluoro-2-phenoxyacetamide
CID 20716397
3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide
CID 61035217
2,2-dichloro-N,N'-diphenylpropanediamide
CID 14712481
2-methyl-4-(methylamino)-4-oxo-2-phenoxybutanoic acid
CID 68880264
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide?
The IUPAC name of 3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide (CID 70262105) is 3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide.
What is the SMILES notation for 3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide?
The canonical SMILES for 3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide is CC(CCl)(Oc1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of 3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide?
The InChIKey is WMZIENCPSYETIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-16(12-17,20-14-10-6-3-7-11-14)15(19)18-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,18,19).
What are the key properties of 3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide?
3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide has a molecular weight of 289.76 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide is sourced from PubChem (CID 70262105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).