N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylthiophene-2-carboxamide

C13H10ClF2NO2S — CID 26901534

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C13H10ClF2NO2S/c1-7-4-5-20-11(7)12(18)17-8-2-3-10(9(14)6-8)19-13(15)16/h2-6,13H,1H3,(H,17,18)
InChIKeyQPPYVJWBGRVEKP-UHFFFAOYSA-N
MW317.74 g/mol
LogP4.56
Rot. Bonds4

About N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylthiophene-2-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 26901534) has the molecular formula C13H10ClF2NO2S and a molecular weight of 317.74 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylthiophene-2-carboxamide
PubChem CID26901534
Molecular FormulaC13H10ClF2NO2S
Molecular Weight317.74 g/mol
Exact Mass317.01
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C13H10ClF2NO2S/c1-7-4-5-20-11(7)12(18)17-8-2-3-10(9(14)6-8)19-13(15)16/h2-6,13H,1H3,(H,17,18)
InChIKeyQPPYVJWBGRVEKP-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-5-methylthiophene-3-carboxamide
CID 1247197
(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2443459
N-(3-Chloro-4-methoxyphenyl)-4-[3-(thiophene-2-sulfonyl)propanamido]benzamide
CID 15988771
N-[3-chloro-4-[1-(3-methylbutyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526578
N-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526610
N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide
CID 44535683
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 1256034
N-(3-chloro-4-methoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 2388217
N~4~-(3-chloro-4-methoxyphenyl)-4-(2-thienyl)tetrahydro-2H-pyran-4-carboxamide
CID 7243556
N-[4-(difluoromethoxy)phenyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 8502623
N-[3-chloro-4-[1-(3-methylbutyl)piperidin-4-yl]oxyphenyl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44526576
N-[4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
CID 720221

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylthiophene-2-carboxamide (CID 26901534) is N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is QPPYVJWBGRVEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO2S/c1-7-4-5-20-11(7)12(18)17-8-2-3-10(9(14)6-8)19-13(15)16/h2-6,13H,1H3,(H,17,18).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylthiophene-2-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 317.74 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 26901534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).