N-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide

C20H14FN3O4 — CID 2958701

IUPACN-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(C#N)cc1F
InChIInChI=1S/C20H14FN3O4/c1-27-17-7-5-13(23-20(26)18-3-2-8-28-18)10-16(17)24-19(25)14-6-4-12(11-22)9-15(14)21/h2-10H,1H3,(H,23,26)(H,24,25)
InChIKeyWVZGHSDTLONVSH-UHFFFAOYSA-N
MW379.35 g/mol
LogP3.80
Rot. Bonds5

About N-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide

N-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide (PubChem CID 2958701) has the molecular formula C20H14FN3O4 and a molecular weight of 379.35 g/mol. Its IUPAC name is N-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
PubChem CID2958701
Molecular FormulaC20H14FN3O4
Molecular Weight379.35 g/mol
Exact Mass379.10
IUPAC NameN-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
SMILESCOc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(C#N)cc1F
InChIInChI=1S/C20H14FN3O4/c1-27-17-7-5-13(23-20(26)18-3-2-8-28-18)10-16(17)24-19(25)14-6-4-12(11-22)9-15(14)21/h2-10H,1H3,(H,23,26)(H,24,25)
InChIKeyWVZGHSDTLONVSH-UHFFFAOYSA-N
XLogP3.80
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.35
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-cyano-2-(2-methoxyethoxy)phenyl]furan-2-carboxamide
CID 86788421
N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 655668
4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide
CID 2993174
N-[3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 4261831
N-(3-hydroxy-4-methoxyphenyl)furan-2-carboxamide
CID 56690057
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 24536405
N-(3-acetamido-4-methoxyphenyl)-2,4-difluorobenzamide
CID 33307531
2-[[5-(furan-2-carbonylamino)-2-methoxyphenyl]carbamoylamino]propanoic acid
CID 4905370
5-acetamido-N-(4-cyanophenyl)-2-methoxybenzamide
CID 110764577
N-[3-[(4-bromobenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 5091898
N-[3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 3913489
4-chloro-2-fluoro-N-[5-[(2-hydroxybenzoyl)amino]-2-methoxyphenyl]benzamide
CID 52701764

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide (CID 2958701) is N-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide is COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(C#N)cc1F.
What is the InChIKey of N-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide?
The InChIKey is WVZGHSDTLONVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O4/c1-27-17-7-5-13(23-20(26)18-3-2-8-28-18)10-16(17)24-19(25)14-6-4-12(11-22)9-15(14)21/h2-10H,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide?
N-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide has a molecular weight of 379.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-cyano-2-fluorobenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 2958701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).