N-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide

C16H10BrClN2O3 — CID 137173683

IUPACN-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1cc(Cl)c(O)c(Br)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H10BrClN2O3/c17-11-5-9(6-12(18)15(11)21)8-19-20-16(22)14-7-10-3-1-2-4-13(10)23-14/h1-8,21H,(H,20,22)/b19-8+
InChIKeyNHESPNZRNIXPBL-UFWORHAWSA-N
MW393.62 g/mol
LogP4.32
Rot. Bonds3

About N-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide

N-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide (PubChem CID 137173683) has the molecular formula C16H10BrClN2O3 and a molecular weight of 393.62 g/mol. Its IUPAC name is N-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
PubChem CID137173683
Molecular FormulaC16H10BrClN2O3
Molecular Weight393.62 g/mol
Exact Mass391.96
IUPAC NameN-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
SMILESO=C(N/N=C/c1cc(Cl)c(O)c(Br)c1)c1cc2ccccc2o1
InChIInChI=1S/C16H10BrClN2O3/c17-11-5-9(6-12(18)15(11)21)8-19-20-16(22)14-7-10-3-1-2-4-13(10)23-14/h1-8,21H,(H,20,22)/b19-8+
InChIKeyNHESPNZRNIXPBL-UFWORHAWSA-N
XLogP4.32
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.62
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-[(1-benzofuran-2-carbonylhydrazinylidene)methyl]-2-bromo-6-chlorophenoxy]acetate
CID 1278903
N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 3752024
N-[[4-(2-amino-2-oxoethoxy)-3-chlorophenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 3419462
4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]benzoic acid
CID 5427120
N-[(Z)-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5433423
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 96883350
5-chloro-N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137150800
N-[[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 3413947
N-[(E)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-5-chloro-1-benzofuran-2-carboxamide
CID 126023954
N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5411313
N-[(E)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 137131398
N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5418856

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide (CID 137173683) is N-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is O=C(N/N=C/c1cc(Cl)c(O)c(Br)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
The InChIKey is NHESPNZRNIXPBL-UFWORHAWSA-N. The full InChI is InChI=1S/C16H10BrClN2O3/c17-11-5-9(6-12(18)15(11)21)8-19-20-16(22)14-7-10-3-1-2-4-13(10)23-14/h1-8,21H,(H,20,22)/b19-8+.
What are the key properties of N-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide?
N-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide has a molecular weight of 393.62 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-5-chloro-4-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 137173683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).