N-[3-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide

C18H13ClN2O3 — CID 825659

IUPACN-[3-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccco1
InChIInChI=1S/C18H13ClN2O3/c19-15-8-2-1-7-14(15)17(22)20-12-5-3-6-13(11-12)21-18(23)16-9-4-10-24-16/h1-11H,(H,20,22)(H,21,23)
InChIKeyIGJTYECNPMHUEL-UHFFFAOYSA-N
MW340.77 g/mol
LogP4.44
Rot. Bonds4

About N-[3-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide

N-[3-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 825659) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is N-[3-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID825659
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC NameN-[3-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccco1
InChIInChI=1S/C18H13ClN2O3/c19-15-8-2-1-7-14(15)17(22)20-12-5-3-6-13(11-12)21-18(23)16-9-4-10-24-16/h1-11H,(H,20,22)(H,21,23)
InChIKeyIGJTYECNPMHUEL-UHFFFAOYSA-N
XLogP4.44
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide (CID 825659) is N-[3-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide is O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccco1.
What is the InChIKey of N-[3-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is IGJTYECNPMHUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c19-15-8-2-1-7-14(15)17(22)20-12-5-3-6-13(11-12)21-18(23)16-9-4-10-24-16/h1-11H,(H,20,22)(H,21,23).
What are the key properties of N-[3-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide?
N-[3-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 340.77 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 825659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).