3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide

C12H14ClF2NO2 — CID 43470699

IUPAC3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CCCl
InChIInChI=1S/C12H14ClF2NO2/c1-16(11(17)6-7-13)8-9-2-4-10(5-3-9)18-12(14)15/h2-5,12H,6-8H2,1H3
InChIKeyDBCPQAQEQUMLLN-UHFFFAOYSA-N
MW277.70 g/mol
LogP2.88
Rot. Bonds6

About 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide

3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide (PubChem CID 43470699) has the molecular formula C12H14ClF2NO2 and a molecular weight of 277.70 g/mol. Its IUPAC name is 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
PubChem CID43470699
Molecular FormulaC12H14ClF2NO2
Molecular Weight277.70 g/mol
Exact Mass277.07
IUPAC Name3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)CCCl
InChIInChI=1S/C12H14ClF2NO2/c1-16(11(17)6-7-13)8-9-2-4-10(5-3-9)18-12(14)15/h2-5,12H,6-8H2,1H3
InChIKeyDBCPQAQEQUMLLN-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 78848081
N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 78848085
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide
CID 62834915
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 55344317
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837
2-(3,5-dichlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 112778072
2-(2-aminoethoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 79474111
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660
2-(butan-2-ylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 60646782
2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 78762115
N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
CID 39758265

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide?
The IUPAC name of 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide (CID 43470699) is 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide.
What is the SMILES notation for 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide?
The canonical SMILES for 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide?
The InChIKey is DBCPQAQEQUMLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO2/c1-16(11(17)6-7-13)8-9-2-4-10(5-3-9)18-12(14)15/h2-5,12H,6-8H2,1H3.
What are the key properties of 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide?
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide has a molecular weight of 277.70 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide is sourced from PubChem (CID 43470699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).