N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide

C18H12ClFN2O3 — CID 55645358

IUPACN-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1NC(=O)c1ccco1)c1cccc(F)c1
InChIInChI=1S/C18H12ClFN2O3/c19-12-6-7-14(21-17(23)11-3-1-4-13(20)9-11)15(10-12)22-18(24)16-5-2-8-25-16/h1-10H,(H,21,23)(H,22,24)
InChIKeyFSFLWHNTBZBALF-UHFFFAOYSA-N
MW358.76 g/mol
LogP4.58
Rot. Bonds4

About N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide

N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 55645358) has the molecular formula C18H12ClFN2O3 and a molecular weight of 358.76 g/mol. Its IUPAC name is N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID55645358
Molecular FormulaC18H12ClFN2O3
Molecular Weight358.76 g/mol
Exact Mass358.05
IUPAC NameN-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1NC(=O)c1ccco1)c1cccc(F)c1
InChIInChI=1S/C18H12ClFN2O3/c19-12-6-7-14(21-17(23)11-3-1-4-13(20)9-11)15(10-12)22-18(24)16-5-2-8-25-16/h1-10H,(H,21,23)(H,22,24)
InChIKeyFSFLWHNTBZBALF-UHFFFAOYSA-N
XLogP4.58
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.76
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-[[3-(dimethylamino)benzoyl]amino]phenyl]furan-2-carboxamide
CID 55811826
N-[2-(3-aminopropanoylamino)-4-chlorophenyl]-3-fluorobenzamide
CID 82034776
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-(2,5-difluorophenyl)furan-2-carboxamide
CID 2711385
N-[5-chloro-2-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 55934138
N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278
N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide
CID 55932482
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide
CID 94660299
N-[5-chloro-2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]furan-2-carboxamide
CID 55811858
N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepine-8-carboxamide
CID 167826820

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide (CID 55645358) is N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1NC(=O)c1ccco1)c1cccc(F)c1.
What is the InChIKey of N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is FSFLWHNTBZBALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2O3/c19-12-6-7-14(21-17(23)11-3-1-4-13(20)9-11)15(10-12)22-18(24)16-5-2-8-25-16/h1-10H,(H,21,23)(H,22,24).
What are the key properties of N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide?
N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 358.76 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55645358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).