N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide

C21H24FN3O4 — CID 47057222

IUPACN-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C21H24FN3O4/c1-13(23-21(28)15-9-10-29-12-15)19(26)24-16-7-8-17(22)18(11-16)25-20(27)14-5-3-2-4-6-14/h7-14H,2-6H2,1H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyIOLKNOJVMDTDNV-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.69
Rot. Bonds6

About N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 47057222) has the molecular formula C21H24FN3O4 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID47057222
Molecular FormulaC21H24FN3O4
Molecular Weight401.44 g/mol
Exact Mass401.18
IUPAC NameN-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C21H24FN3O4/c1-13(23-21(28)15-9-10-29-12-15)19(26)24-16-7-8-17(22)18(11-16)25-20(27)14-5-3-2-4-6-14/h7-14H,2-6H2,1H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyIOLKNOJVMDTDNV-UHFFFAOYSA-N
XLogP3.69
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 55776993
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 119282895
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-[5-(2-butylsulfanylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 55925288
N-[1-oxo-1-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propan-2-yl]furan-3-carboxamide
CID 55831241
N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 42948485
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide
CID 55722774
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide
CID 55722520
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
N-[1-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 55949531
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 47057222) is N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is IOLKNOJVMDTDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4/c1-13(23-21(28)15-9-10-29-12-15)19(26)24-16-7-8-17(22)18(11-16)25-20(27)14-5-3-2-4-6-14/h7-14H,2-6H2,1H3,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 47057222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).