N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide

C20H16ClN3O4 — CID 51148221

IUPACN-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H16ClN3O4/c1-12-8-9-13(11-16(12)22-20(27)17-7-4-10-28-17)18(25)23-24-19(26)14-5-2-3-6-15(14)21/h2-11H,1H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyYZYIBRSKRDUHBY-UHFFFAOYSA-N
MW397.82 g/mol
LogP3.57
Rot. Bonds4

About N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 51148221) has the molecular formula C20H16ClN3O4 and a molecular weight of 397.82 g/mol. Its IUPAC name is N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID51148221
Molecular FormulaC20H16ClN3O4
Molecular Weight397.82 g/mol
Exact Mass397.08
IUPAC NameN-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1NC(=O)c1ccco1
InChIInChI=1S/C20H16ClN3O4/c1-12-8-9-13(11-16(12)22-20(27)17-7-4-10-28-17)18(25)23-24-19(26)14-5-2-3-6-15(14)21/h2-11H,1H3,(H,22,27)(H,23,25)(H,24,26)
InChIKeyYZYIBRSKRDUHBY-UHFFFAOYSA-N
XLogP3.57
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(4,5-dichloro-2-pyridinyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 75512395
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-[5-[(2-ethylsulfonylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55613641
N-[5-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51158750
N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4788258
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605504
N-[5-(1,1-diphenylethylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 56522910
N-[5-[[[2-(4-fluorophenoxy)acetyl]amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4795361
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2357454
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 26665761
N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide
CID 126007751

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 51148221) is N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is YZYIBRSKRDUHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O4/c1-12-8-9-13(11-16(12)22-20(27)17-7-4-10-28-17)18(25)23-24-19(26)14-5-2-3-6-15(14)21/h2-11H,1H3,(H,22,27)(H,23,25)(H,24,26).
What are the key properties of N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 397.82 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2-chlorobenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 51148221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).