N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide

C12H14ClF2NO2 — CID 63395540

IUPACN-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide
SMILESCCN(CCCl)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H14ClF2NO2/c1-2-16(7-6-13)11(17)9-4-3-5-10(8-9)18-12(14)15/h3-5,8,12H,2,6-7H2,1H3
InChIKeyOEHLIRLSDKGSSF-UHFFFAOYSA-N
MW277.70 g/mol
LogP2.99
Rot. Bonds6

About N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide

N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide (PubChem CID 63395540) has the molecular formula C12H14ClF2NO2 and a molecular weight of 277.70 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide
PubChem CID63395540
Molecular FormulaC12H14ClF2NO2
Molecular Weight277.70 g/mol
Exact Mass277.07
IUPAC NameN-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide
SMILESCCN(CCCl)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H14ClF2NO2/c1-2-16(7-6-13)11(17)9-4-3-5-10(8-9)18-12(14)15/h3-5,8,12H,2,6-7H2,1H3
InChIKeyOEHLIRLSDKGSSF-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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

N-(3-chloropropyl)-3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 63390814
N-(2-chloroethyl)-3-(dimethylamino)-N-ethylbenzamide
CID 55186275
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide
CID 107493447
3-(difluoromethoxy)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylbenzamide
CID 78771763
N-(2-bromoethyl)-N-ethyl-3-methoxybenzamide
CID 80659973
3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833598
2-chloro-1-[3-(difluoromethoxy)phenyl]butan-1-one
CID 146008921
methyl 2-[[3-(difluoromethoxy)benzoyl]-propan-2-ylamino]acetate
CID 60767021
N-(2-chloroethyl)-N-pentan-3-yl-3-propan-2-yloxybenzamide
CID 63398302
N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide
CID 63395129
N-(2-chloroethyl)-3-fluoro-N-propylbenzamide
CID 63392950
N-(5-chloropentyl)-3-(difluoromethoxy)benzamide
CID 107321329

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide?
The IUPAC name of N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide (CID 63395540) is N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide.
What is the SMILES notation for N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide?
The canonical SMILES for N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide is CCN(CCCl)C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide?
The InChIKey is OEHLIRLSDKGSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO2/c1-2-16(7-6-13)11(17)9-4-3-5-10(8-9)18-12(14)15/h3-5,8,12H,2,6-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide?
N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide has a molecular weight of 277.70 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide is sourced from PubChem (CID 63395540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).