3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide

C12H16ClNO2 — CID 12593594

IUPAC3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide
SMILESCC(C)(CCl)C(=O)NOCc1ccccc1
InChIInChI=1S/C12H16ClNO2/c1-12(2,9-13)11(15)14-16-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15)
InChIKeyGZFUYMHIIVPLFJ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.50
Rot. Bonds5

About 3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide

3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide (PubChem CID 12593594) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide
PubChem CID12593594
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide
SMILESCC(C)(CCl)C(=O)NOCc1ccccc1
InChIInChI=1S/C12H16ClNO2/c1-12(2,9-13)11(15)14-16-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15)
InChIKeyGZFUYMHIIVPLFJ-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-methyl-N-phenylmethoxypropanamide
CID 141458556
2-amino-2-cyclopropyl-N-phenylmethoxypropanamide
CID 64974796
1-methyl-3-phenylmethoxyurea
CID 14227198
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
3-chloro-N-methoxy-2,2-dimethylpropanamide
CID 55298436
2,3-dimethyl-4-oxo-4-(phenylmethoxyamino)but-2-enoic acid
CID 77054852
2-(3,4-dichlorophenyl)-N-phenylmethoxyacetamide
CID 8908973
(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 63681272
benzyl 3-hydrazinyl-2,2-dimethyl-3-oxopropanoate
CID 134573796
2-ethoxy-N-phenylmethoxyacetamide
CID 60669074
4-[2-methyl-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 139767867

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide (CID 12593594) is 3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide is CC(C)(CCl)C(=O)NOCc1ccccc1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide?
The InChIKey is GZFUYMHIIVPLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-12(2,9-13)11(15)14-16-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,15).
What are the key properties of 3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide?
3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide has a molecular weight of 241.72 g/mol, XLogP of 2.50, 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-phenylmethoxypropanamide is sourced from PubChem (CID 12593594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).