N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C20H16ClFN2O2S — CID 55345705

IUPACN-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1F)c1cccs1
InChIInChI=1S/C20H16ClFN2O2S/c21-14-8-9-16(15(22)12-14)23-19(25)17(11-13-5-2-1-3-6-13)24-20(26)18-7-4-10-27-18/h1-10,12,17H,11H2,(H,23,25)(H,24,26)
InChIKeyMUUIUTFEQMBMOA-UHFFFAOYSA-N
MW402.88 g/mol
LogP4.52
Rot. Bonds6

About N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 55345705) has the molecular formula C20H16ClFN2O2S and a molecular weight of 402.88 g/mol. Its IUPAC name is N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID55345705
Molecular FormulaC20H16ClFN2O2S
Molecular Weight402.88 g/mol
Exact Mass402.06
IUPAC NameN-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1F)c1cccs1
InChIInChI=1S/C20H16ClFN2O2S/c21-14-8-9-16(15(22)12-14)23-19(25)17(11-13-5-2-1-3-6-13)24-20(26)18-7-4-10-27-18/h1-10,12,17H,11H2,(H,23,25)(H,24,26)
InChIKeyMUUIUTFEQMBMOA-UHFFFAOYSA-N
XLogP4.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484876
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42725017
2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 18160928
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide
CID 42725617
N-[1-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 118296365
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
N-[1-(1H-indol-7-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 118296458
N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499621
N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2428943
N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 36670866
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
CID 42725023
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55334887

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 55345705) is N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1F)c1cccs1.
What is the InChIKey of N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is MUUIUTFEQMBMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2S/c21-14-8-9-16(15(22)12-14)23-19(25)17(11-13-5-2-1-3-6-13)24-20(26)18-7-4-10-27-18/h1-10,12,17H,11H2,(H,23,25)(H,24,26).
What are the key properties of N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55345705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).