N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)-2-methylpropanamide

C15H14ClF2NO2 — CID 139604575

IUPACN-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)Cl)c1)c1ccco1
InChIInChI=1S/C15H14ClF2NO2/c1-14(2,12-7-4-8-21-12)13(20)19-11-6-3-5-10(9-11)15(16,17)18/h3-9H,1-2H3,(H,19,20)
InChIKeyDKONIOPCJWKNHO-UHFFFAOYSA-N
MW313.73 g/mol
LogP4.48
Rot. Bonds4

About N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)-2-methylpropanamide

N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)-2-methylpropanamide (PubChem CID 139604575) has the molecular formula C15H14ClF2NO2 and a molecular weight of 313.73 g/mol. Its IUPAC name is N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)-2-methylpropanamide
PubChem CID139604575
Molecular FormulaC15H14ClF2NO2
Molecular Weight313.73 g/mol
Exact Mass313.07
IUPAC NameN-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)Cl)c1)c1ccco1
InChIInChI=1S/C15H14ClF2NO2/c1-14(2,12-7-4-8-21-12)13(20)19-11-6-3-5-10(9-11)15(16,17)18/h3-9H,1-2H3,(H,19,20)
InChIKeyDKONIOPCJWKNHO-UHFFFAOYSA-N
XLogP4.48
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[chloro(difluoro)methyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide
CID 139604604
N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)propanamide
CID 139604585
N-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide
CID 54366918
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294
2-oxo-N-[3-(trifluoromethyl)phenyl]propanethioamide
CID 141059114
2-[furan-2-ylmethyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9333158
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1489531
N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide
CID 139604579
N-(3-chloro-4-methylphenyl)-2,2-dimethyl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108969164
3-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 8762528

Frequently Asked Questions

What is the IUPAC name of N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)-2-methylpropanamide?
The IUPAC name of N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)-2-methylpropanamide (CID 139604575) is N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)-2-methylpropanamide?
The canonical SMILES for N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)-2-methylpropanamide is CC(C)(C(=O)Nc1cccc(C(F)(F)Cl)c1)c1ccco1.
What is the InChIKey of N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)-2-methylpropanamide?
The InChIKey is DKONIOPCJWKNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO2/c1-14(2,12-7-4-8-21-12)13(20)19-11-6-3-5-10(9-11)15(16,17)18/h3-9H,1-2H3,(H,19,20).
What are the key properties of N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)-2-methylpropanamide?
N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)-2-methylpropanamide has a molecular weight of 313.73 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 139604575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).