N-[3-[chloro(difluoro)methyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide

C15H14ClF2NOS — CID 139604604

IUPACN-[3-[chloro(difluoro)methyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)Cl)c1)c1cccs1
InChIInChI=1S/C15H14ClF2NOS/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)
InChIKeyAAQOALMNHAYZKA-UHFFFAOYSA-N
MW329.80 g/mol
LogP4.95
Rot. Bonds4

About N-[3-[chloro(difluoro)methyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide

N-[3-[chloro(difluoro)methyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide (PubChem CID 139604604) has the molecular formula C15H14ClF2NOS and a molecular weight of 329.80 g/mol. Its IUPAC name is N-[3-[chloro(difluoro)methyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-[chloro(difluoro)methyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide
PubChem CID139604604
Molecular FormulaC15H14ClF2NOS
Molecular Weight329.80 g/mol
Exact Mass329.05
IUPAC NameN-[3-[chloro(difluoro)methyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)Cl)c1)c1cccs1
InChIInChI=1S/C15H14ClF2NOS/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)
InChIKeyAAQOALMNHAYZKA-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 54.95
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-[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
N-[3-[chloro(difluoro)methyl]phenyl]-2-thiophen-3-ylacetamide
CID 139604579
3-[4-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]phenyl]propanoic acid
CID 119252211
2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113209036
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294
N'-(3-chlorophenyl)-2-hydroxy-2-phenyl-2-thiophen-2-ylacetohydrazide
CID 3264601
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113210404
N-[3-[chloro(difluoro)methyl]phenyl]-2-(furan-2-yl)propanamide
CID 139604585
2-[chloro(difluoro)methyl]thiophene
CID 15727491

Frequently Asked Questions

What is the IUPAC name of N-[3-[chloro(difluoro)methyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide?
The IUPAC name of N-[3-[chloro(difluoro)methyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide (CID 139604604) is N-[3-[chloro(difluoro)methyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[3-[chloro(difluoro)methyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-[3-[chloro(difluoro)methyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide is CC(C)(C(=O)Nc1cccc(C(F)(F)Cl)c1)c1cccs1.
What is the InChIKey of N-[3-[chloro(difluoro)methyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide?
The InChIKey is AAQOALMNHAYZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NOS/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-methyl-2-thiophen-2-ylpropanamide?
N-[3-[chloro(difluoro)methyl]phenyl]-2-methyl-2-thiophen-2-ylpropanamide has a molecular weight of 329.80 g/mol, XLogP of 4.95, 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-methyl-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 139604604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).