3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide

C13H18ClNO — CID 63681272

IUPAC3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)(C)CCl)c1ccccc1
InChIInChI=1S/C13H18ClNO/c1-10(11-7-5-4-6-8-11)15-12(16)13(2,3)9-14/h4-8,10H,9H2,1-3H3,(H,15,16)
InChIKeyJXUMIDZNSKQOKM-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.13
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide

3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide (PubChem CID 63681272) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
PubChem CID63681272
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)(C)CCl)c1ccccc1
InChIInChI=1S/C13H18ClNO/c1-10(11-7-5-4-6-8-11)15-12(16)13(2,3)9-14/h4-8,10H,9H2,1-3H3,(H,15,16)
InChIKeyJXUMIDZNSKQOKM-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-2,2-dimethylpropanamide
CID 81348452
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736
3-chloro-2,2-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360770
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide
CID 71378994
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
3-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 81400085
3-chloro-N-[1-(2,6-difluorophenyl)ethyl]-2,2-dimethylpropanamide
CID 63680759
2,2-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623
2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide
CID 108957197
3-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 63664640

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide (CID 63681272) is 3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide is CC(NC(=O)C(C)(C)CCl)c1ccccc1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide?
The InChIKey is JXUMIDZNSKQOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10(11-7-5-4-6-8-11)15-12(16)13(2,3)9-14/h4-8,10H,9H2,1-3H3,(H,15,16).
What are the key properties of 3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide?
3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide has a molecular weight of 239.75 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 63681272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).