N-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C22H26FN3O4 — CID 55913000

IUPACN-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c(C)o1
InChIInChI=1S/C22H26FN3O4/c1-13-10-17(14(2)30-13)22(29)24-12-20(27)25-16-8-9-18(23)19(11-16)26-21(28)15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyZFBBBIIYGUYSAM-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.92
Rot. Bonds6

About N-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 55913000) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID55913000
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC NameN-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c(C)o1
InChIInChI=1S/C22H26FN3O4/c1-13-10-17(14(2)30-13)22(29)24-12-20(27)25-16-8-9-18(23)19(11-16)26-21(28)15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyZFBBBIIYGUYSAM-UHFFFAOYSA-N
XLogP3.92
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119282872
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CID 46429163
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide
CID 55722774
N-[5-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 78878919
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide
CID 55722520
2,5-dimethyl-N-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]furan-3-carboxamide
CID 86822812
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
N-[5-(3-cyclopentylsulfonylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 47047282
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CID 119711633
N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 119282895
(2S,6S)-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-2,6-dimethylmorpholine-4-carboxamide
CID 52501690

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 55913000) is N-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c(C)o1.
What is the InChIKey of N-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is ZFBBBIIYGUYSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-13-10-17(14(2)30-13)22(29)24-12-20(27)25-16-8-9-18(23)19(11-16)26-21(28)15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of N-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55913000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).