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

C20H16ClN3O3 — CID 6981998

IUPACN-[3-[(E)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C20H16ClN3O3/c1-13(23-24-19(25)15-6-2-7-16(21)11-15)14-5-3-8-17(12-14)22-20(26)18-9-4-10-27-18/h2-12H,1H3,(H,22,26)(H,24,25)/b23-13+
InChIKeyUVEXAXVRGHVBDC-YDZHTSKRSA-N
MW381.82 g/mol
LogP4.34
Rot. Bonds5

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

N-[3-[(E)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide (PubChem CID 6981998) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-[3-[(E)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(E)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
PubChem CID6981998
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC NameN-[3-[(E)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide
SMILESC/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C20H16ClN3O3/c1-13(23-24-19(25)15-6-2-7-16(21)11-15)14-5-3-8-17(12-14)22-20(26)18-9-4-10-27-18/h2-12H,1H3,(H,22,26)(H,24,25)/b23-13+
InChIKeyUVEXAXVRGHVBDC-YDZHTSKRSA-N
XLogP4.34
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(E)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide (CID 6981998) is N-[3-[(E)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(E)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(E)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide is C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[(E)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
The InChIKey is UVEXAXVRGHVBDC-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c1-13(23-24-19(25)15-6-2-7-16(21)11-15)14-5-3-8-17(12-14)22-20(26)18-9-4-10-27-18/h2-12H,1H3,(H,22,26)(H,24,25)/b23-13+.
What are the key properties of N-[3-[(E)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide?
N-[3-[(E)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-N-[(3-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 6981998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).