N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide

C14H12ClF2NO2S — CID 37040206

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(C)s1
InChIInChI=1S/C14H12ClF2NO2S/c1-7-5-10(8(2)21-7)13(19)18-9-3-4-12(11(15)6-9)20-14(16)17/h3-6,14H,1-2H3,(H,18,19)
InChIKeyPNZFDGQVLMTCBD-UHFFFAOYSA-N
MW331.77 g/mol
LogP4.87
Rot. Bonds4

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide (PubChem CID 37040206) has the molecular formula C14H12ClF2NO2S and a molecular weight of 331.77 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide
PubChem CID37040206
Molecular FormulaC14H12ClF2NO2S
Molecular Weight331.77 g/mol
Exact Mass331.02
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(C)s1
InChIInChI=1S/C14H12ClF2NO2S/c1-7-5-10(8(2)21-7)13(19)18-9-3-4-12(11(15)6-9)20-14(16)17/h3-6,14H,1-2H3,(H,18,19)
InChIKeyPNZFDGQVLMTCBD-UHFFFAOYSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 112794545
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide
CID 26901544
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 26901535
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(dimethylamino)benzamide
CID 24576004
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-[(2,4-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19483618
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 78910804
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19510356

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide (CID 37040206) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(C)s1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is PNZFDGQVLMTCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO2S/c1-7-5-10(8(2)21-7)13(19)18-9-3-4-12(11(15)6-9)20-14(16)17/h3-6,14H,1-2H3,(H,18,19).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 331.77 g/mol, XLogP of 4.87, 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]-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 37040206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).