3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide

C17H18ClNO2 — CID 63680730

IUPAC3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide
SMILESCC(C)(CCl)C(=O)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H18ClNO2/c1-17(2,12-18)16(20)19-13-7-6-10-15(11-13)21-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyXRNMEHBKGFKUCH-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.68
Rot. Bonds5

About 3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide

3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide (PubChem CID 63680730) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide
PubChem CID63680730
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide
SMILESCC(C)(CCl)C(=O)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H18ClNO2/c1-17(2,12-18)16(20)19-13-7-6-10-15(11-13)21-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,19,20)
InChIKeyXRNMEHBKGFKUCH-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.68
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

2-methyl-2-(methylamino)-N-(3-phenoxyphenyl)propanamide
CID 62845831
3-[(3-chloro-2,2-dimethylpropanoyl)amino]benzoic acid
CID 63679590
4-chloro-N-(3-phenoxyphenyl)butanamide
CID 63308949
1-methyl-3-(3-phenoxyphenyl)urea
CID 47127200
3-[[amino-(3-phenoxyanilino)methylidene]amino]-2,2-dimethylpropanamide
CID 111599274
(4-phenoxyphenyl) 2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetate
CID 18870391
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N-methylbenzamide
CID 63678627
2-methyl-N-(3-phenoxyphenyl)butanamide
CID 53364670
3-chloro-N-(3,5-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 2764507
2-[3-(2,2-dimethylbutanoylamino)phenoxy]acetic acid
CID 62678206
3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide
CID 70262105
2-hydroxy-N-(3-methoxyphenyl)-2,2-diphenylacetamide
CID 828005

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide (CID 63680730) is 3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide is CC(C)(CCl)C(=O)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide?
The InChIKey is XRNMEHBKGFKUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-17(2,12-18)16(20)19-13-7-6-10-15(11-13)21-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3,(H,19,20).
What are the key properties of 3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide?
3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide has a molecular weight of 303.79 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(3-phenoxyphenyl)propanamide is sourced from PubChem (CID 63680730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).