N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide

C14H12ClFN2O2S — CID 17499621

IUPACN-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H12ClFN2O2S/c15-9-3-4-11(10(16)8-9)18-13(19)5-6-17-14(20)12-2-1-7-21-12/h1-4,7-8H,5-6H2,(H,17,20)(H,18,19)
InChIKeyNODWUMGHVCPMCW-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.30
Rot. Bonds5

About N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide

N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 17499621) has the molecular formula C14H12ClFN2O2S and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID17499621
Molecular FormulaC14H12ClFN2O2S
Molecular Weight326.78 g/mol
Exact Mass326.03
IUPAC NameN-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H12ClFN2O2S/c15-9-3-4-11(10(16)8-9)18-13(19)5-6-17-14(20)12-2-1-7-21-12/h1-4,7-8H,5-6H2,(H,17,20)(H,18,19)
InChIKeyNODWUMGHVCPMCW-UHFFFAOYSA-N
XLogP3.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497031
N-[4-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 30272406
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
4-bromo-N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]benzamide
CID 7961221
N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499997
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 30118810
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55345705
3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide
CID 109037533
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9455258

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide (CID 17499621) is N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide is O=C(CCNC(=O)c1cccs1)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is NODWUMGHVCPMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2S/c15-9-3-4-11(10(16)8-9)18-13(19)5-6-17-14(20)12-2-1-7-21-12/h1-4,7-8H,5-6H2,(H,17,20)(H,18,19).
What are the key properties of N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 17499621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).