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

C14H12ClF2NO2 — CID 139604585

IUPACN-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)propanamide
SMILESCC(C(=O)Nc1cccc(C(F)(F)Cl)c1)c1ccco1
InChIInChI=1S/C14H12ClF2NO2/c1-9(12-6-3-7-20-12)13(19)18-11-5-2-4-10(8-11)14(15,16)17/h2-9H,1H3,(H,18,19)
InChIKeyPHRHPCLKTSNBIQ-UHFFFAOYSA-N
MW299.70 g/mol
LogP4.31
Rot. Bonds4

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

N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)propanamide (PubChem CID 139604585) has the molecular formula C14H12ClF2NO2 and a molecular weight of 299.70 g/mol. Its IUPAC name is N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)propanamide
PubChem CID139604585
Molecular FormulaC14H12ClF2NO2
Molecular Weight299.70 g/mol
Exact Mass299.05
IUPAC NameN-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)propanamide
SMILESCC(C(=O)Nc1cccc(C(F)(F)Cl)c1)c1ccco1
InChIInChI=1S/C14H12ClF2NO2/c1-9(12-6-3-7-20-12)13(19)18-11-5-2-4-10(8-11)14(15,16)17/h2-9H,1H3,(H,18,19)
InChIKeyPHRHPCLKTSNBIQ-UHFFFAOYSA-N
XLogP4.31
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.70
LogP ≤ 54.31
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-(furan-2-yl)-2-methylpropanamide
CID 139604575
N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
N-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide
CID 54366918
N-[(2R)-1-oxo-1-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propan-2-yl]furan-2-carboxamide
CID 30341754
N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide
CID 43725755
2-methyl-3-sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 167244697
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 3-(furan-2-yl)prop-2-enoate
CID 3462787
(2S)-2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 22690700
N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 112762822
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18904532
2-methyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 91572023

Frequently Asked Questions

What is the IUPAC name of N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)propanamide?
The IUPAC name of N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)propanamide (CID 139604585) is N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)propanamide.
What is the SMILES notation for N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)propanamide?
The canonical SMILES for N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)propanamide is CC(C(=O)Nc1cccc(C(F)(F)Cl)c1)c1ccco1.
What is the InChIKey of N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)propanamide?
The InChIKey is PHRHPCLKTSNBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO2/c1-9(12-6-3-7-20-12)13(19)18-11-5-2-4-10(8-11)14(15,16)17/h2-9H,1H3,(H,18,19).
What are the key properties of N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)propanamide?
N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)propanamide has a molecular weight of 299.70 g/mol, XLogP of 4.31, 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)propanamide is sourced from PubChem (CID 139604585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).