5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline

C15H13Cl2N3O — CID 105224051

IUPAC5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline
SMILESNNC(c1cc2cc(Cl)ccc2o1)c1ccc(Cl)cc1N
InChIInChI=1S/C15H13Cl2N3O/c16-9-2-4-13-8(5-9)6-14(21-13)15(20-19)11-3-1-10(17)7-12(11)18/h1-7,15,20H,18-19H2
InChIKeyIDYWWRSBKHUTFU-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.87
Rot. Bonds3

About 5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline

5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline (PubChem CID 105224051) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline
PubChem CID105224051
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline
SMILESNNC(c1cc2cc(Cl)ccc2o1)c1ccc(Cl)cc1N
InChIInChI=1S/C15H13Cl2N3O/c16-9-2-4-13-8(5-9)6-14(21-13)15(20-19)11-3-1-10(17)7-12(11)18/h1-7,15,20H,18-19H2
InChIKeyIDYWWRSBKHUTFU-UHFFFAOYSA-N
XLogP3.87
TPSA77.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(5-chloro-1-benzofuran-2-yl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105207773
[(5-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine
CID 105223265
[(5-chloro-1-benzofuran-2-yl)-(furan-3-yl)methyl]hydrazine
CID 105221236
[(3-bromo-5-chlorophenyl)-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 107948526
[(5-chloro-1-benzofuran-2-yl)-(3,5-dichloro-2-pyridinyl)methyl]hydrazine
CID 105248605
[(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 105338541
[(5-chloro-1-benzofuran-2-yl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105338577
[(5-chloro-1-benzofuran-2-yl)-(3-methyl-2-pyridinyl)methyl]hydrazine
CID 105209118
1-(5-chloro-1-benzofuran-2-yl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 114728510
[2-chloro-1-(5-chloro-1-benzofuran-2-yl)-2,2-difluoroethyl]hydrazine
CID 105265344
5-chloro-2-[(2,4-dimethylphenyl)-hydrazinylmethyl]aniline
CID 105224101
1-(4-bromo-2-fluorophenyl)-1-(5-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 114906435

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline?
The IUPAC name of 5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline (CID 105224051) is 5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline.
What is the SMILES notation for 5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline?
The canonical SMILES for 5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline is NNC(c1cc2cc(Cl)ccc2o1)c1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline?
The InChIKey is IDYWWRSBKHUTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c16-9-2-4-13-8(5-9)6-14(21-13)15(20-19)11-3-1-10(17)7-12(11)18/h1-7,15,20H,18-19H2.
What are the key properties of 5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline?
5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline has a molecular weight of 322.20 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(5-chloro-1-benzofuran-2-yl)-hydrazinylmethyl]aniline is sourced from PubChem (CID 105224051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).