N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide

C20H14FN3O3 — CID 46466434

IUPACN-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(NC(=O)c2ccc(C#N)cc2)ccc1F
InChIInChI=1S/C20H14FN3O3/c1-12-16(8-9-27-12)20(26)24-18-10-15(6-7-17(18)21)23-19(25)14-4-2-13(11-22)3-5-14/h2-10H,1H3,(H,23,25)(H,24,26)
InChIKeyBPVNWLWOKNVSBE-UHFFFAOYSA-N
MW363.35 g/mol
LogP4.10
Rot. Bonds4

About N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide

N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide (PubChem CID 46466434) has the molecular formula C20H14FN3O3 and a molecular weight of 363.35 g/mol. Its IUPAC name is N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
PubChem CID46466434
Molecular FormulaC20H14FN3O3
Molecular Weight363.35 g/mol
Exact Mass363.10
IUPAC NameN-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(NC(=O)c2ccc(C#N)cc2)ccc1F
InChIInChI=1S/C20H14FN3O3/c1-12-16(8-9-27-12)20(26)24-18-10-15(6-7-17(18)21)23-19(25)14-4-2-13(11-22)3-5-14/h2-10H,1H3,(H,23,25)(H,24,26)
InChIKeyBPVNWLWOKNVSBE-UHFFFAOYSA-N
XLogP4.10
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 55707540
N-[3-hydroxy-4-[(4-methylbenzoyl)amino]phenyl]-2-methylfuran-3-carboxamide
CID 17359026
N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 55707486
N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707274
N-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide
CID 51088761
N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707606
N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55716212
N-(4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 24694502
N-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 96531122
(E)-3-[2-fluoro-5-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 104781347
N-[5-[2-(3-chlorophenoxy)propanoylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707775
N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46469629

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide (CID 46466434) is N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(NC(=O)c2ccc(C#N)cc2)ccc1F.
What is the InChIKey of N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The InChIKey is BPVNWLWOKNVSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3/c1-12-16(8-9-27-12)20(26)24-18-10-15(6-7-17(18)21)23-19(25)14-4-2-13(11-22)3-5-14/h2-10H,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide has a molecular weight of 363.35 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 46466434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).