2-chloro-2-methyl-N-phenylmethoxypropanamide

C11H14ClNO2 — CID 141458556

IUPAC2-chloro-2-methyl-N-phenylmethoxypropanamide
SMILESCC(C)(Cl)C(=O)NOCc1ccccc1
InChIInChI=1S/C11H14ClNO2/c1-11(2,12)10(14)13-15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyMCUCRMQXRRDXFQ-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.25
Rot. Bonds4

About 2-chloro-2-methyl-N-phenylmethoxypropanamide

2-chloro-2-methyl-N-phenylmethoxypropanamide (PubChem CID 141458556) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-2-methyl-N-phenylmethoxypropanamide.

Molecular Properties

Compound Name2-chloro-2-methyl-N-phenylmethoxypropanamide
PubChem CID141458556
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-2-methyl-N-phenylmethoxypropanamide
SMILESCC(C)(Cl)C(=O)NOCc1ccccc1
InChIInChI=1S/C11H14ClNO2/c1-11(2,12)10(14)13-15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14)
InChIKeyMCUCRMQXRRDXFQ-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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

3-chloro-2,2-dimethyl-N-phenylmethoxypropanamide
CID 12593594
2-amino-2-cyclopropyl-N-phenylmethoxypropanamide
CID 64974796
1-methyl-3-phenylmethoxyurea
CID 14227198
2-ethoxy-N-phenylmethoxyacetamide
CID 60669074
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
2,3-dimethyl-4-oxo-4-(phenylmethoxyamino)but-2-enoic acid
CID 77054852
(Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one
CID 10243078
2-chloro-3-oxo-3-phenyl-N-phenylmethoxypropanamide
CID 10380279
(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
benzyl 3-hydrazinyl-2,2-dimethyl-3-oxopropanoate
CID 134573796
N,2-dibenzyl-N',2-bis(phenylmethoxy)propanediamide
CID 10696531
1-[1-(4-tert-butylphenyl)ethyl]-3-phenylmethoxyurea
CID 60561914

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methyl-N-phenylmethoxypropanamide?
The IUPAC name of 2-chloro-2-methyl-N-phenylmethoxypropanamide (CID 141458556) is 2-chloro-2-methyl-N-phenylmethoxypropanamide.
What is the SMILES notation for 2-chloro-2-methyl-N-phenylmethoxypropanamide?
The canonical SMILES for 2-chloro-2-methyl-N-phenylmethoxypropanamide is CC(C)(Cl)C(=O)NOCc1ccccc1.
What is the InChIKey of 2-chloro-2-methyl-N-phenylmethoxypropanamide?
The InChIKey is MCUCRMQXRRDXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-11(2,12)10(14)13-15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,14).
What are the key properties of 2-chloro-2-methyl-N-phenylmethoxypropanamide?
2-chloro-2-methyl-N-phenylmethoxypropanamide has a molecular weight of 227.69 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methyl-N-phenylmethoxypropanamide is sourced from PubChem (CID 141458556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).