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

C20H16ClFN2O3 — CID 46508069

IUPACN-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1
InChIInChI=1S/C20H16ClFN2O3/c21-15-12-14(8-9-16(15)22)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)
InChIKeyWIZIKLQORKOWPD-UHFFFAOYSA-N
MW386.81 g/mol
LogP4.05
Rot. Bonds6

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

N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 46508069) has the molecular formula C20H16ClFN2O3 and a molecular weight of 386.81 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID46508069
Molecular FormulaC20H16ClFN2O3
Molecular Weight386.81 g/mol
Exact Mass386.08
IUPAC NameN-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1
InChIInChI=1S/C20H16ClFN2O3/c21-15-12-14(8-9-16(15)22)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)
InChIKeyWIZIKLQORKOWPD-UHFFFAOYSA-N
XLogP4.05
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-fluoro-3-[(2-phenylacetyl)amino]anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 112837580
N-[1-(3-chloro-4-fluoroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24597987
N-[1-[3-chloro-4-(2-methylpropoxy)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46600099
N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 2207439
N-[(2S)-1-(4-methylsulfanylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 9153890
N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 112762822
N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41037360
N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 40939082
N-[1-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 112764329
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid
CID 4551289
N-[4-[2-(3-chloro-4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 23097996
N-[1-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 85481980

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 46508069) is N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is O=C(NC(Cc1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1.
What is the InChIKey of N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is WIZIKLQORKOWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O3/c21-15-12-14(8-9-16(15)22)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-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 386.81 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46508069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).