N-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide

C18H12BrClN2O4 — CID 71906453

IUPACN-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(Br)cc(Cl)c1O)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C18H12BrClN2O4/c19-11-8-13(20)16(23)14(9-11)22-17(24)10-3-1-4-12(7-10)21-18(25)15-5-2-6-26-15/h1-9,23H,(H,21,25)(H,22,24)
InChIKeyTUBDGCUHYQCBCQ-UHFFFAOYSA-N
MW435.66 g/mol
LogP4.91
Rot. Bonds4

About N-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide

N-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 71906453) has the molecular formula C18H12BrClN2O4 and a molecular weight of 435.66 g/mol. Its IUPAC name is N-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID71906453
Molecular FormulaC18H12BrClN2O4
Molecular Weight435.66 g/mol
Exact Mass433.97
IUPAC NameN-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(Br)cc(Cl)c1O)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C18H12BrClN2O4/c19-11-8-13(20)16(23)14(9-11)22-17(24)10-3-1-4-12(7-10)21-18(25)15-5-2-6-26-15/h1-9,23H,(H,21,25)(H,22,24)
InChIKeyTUBDGCUHYQCBCQ-UHFFFAOYSA-N
XLogP4.91
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.66
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2-benzamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55934006
N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[3-[(3-ethenylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 891471
N-[3-[[2-(2-amino-2-oxoethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55873277
N-[5-[(3-carbamoylphenyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 78779252
N-[3-[1-(2-chlorophenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55822141
N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 55873667
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993
N-[2-chloro-4-[(3,4-dimethylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1365415
N-[4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 29204883

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide (CID 71906453) is N-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1cc(Br)cc(Cl)c1O)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is TUBDGCUHYQCBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrClN2O4/c19-11-8-13(20)16(23)14(9-11)22-17(24)10-3-1-4-12(7-10)21-18(25)15-5-2-6-26-15/h1-9,23H,(H,21,25)(H,22,24).
What are the key properties of N-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide?
N-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 435.66 g/mol, XLogP of 4.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-bromo-3-chloro-2-hydroxyphenyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 71906453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).