N-(4-nitrophenyl)-2-benzofuran-1-amine

C14H10N2O3 — CID 175690055

IUPACN-(4-nitrophenyl)-2-benzofuran-1-amine
SMILESO=[N+]([O-])c1ccc(Nc2occ3ccccc23)cc1
InChIInChI=1S/C14H10N2O3/c17-16(18)12-7-5-11(6-8-12)15-14-13-4-2-1-3-10(13)9-19-14/h1-9,15H
InChIKeyHIKGYMWNBANBKW-UHFFFAOYSA-N
MW254.25 g/mol
LogP4.08
Rot. Bonds3

About N-(4-nitrophenyl)-2-benzofuran-1-amine

N-(4-nitrophenyl)-2-benzofuran-1-amine (PubChem CID 175690055) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-benzofuran-1-amine.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-benzofuran-1-amine
PubChem CID175690055
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC NameN-(4-nitrophenyl)-2-benzofuran-1-amine
SMILESO=[N+]([O-])c1ccc(Nc2occ3ccccc23)cc1
InChIInChI=1S/C14H10N2O3/c17-16(18)12-7-5-11(6-8-12)15-14-13-4-2-1-3-10(13)9-19-14/h1-9,15H
InChIKeyHIKGYMWNBANBKW-UHFFFAOYSA-N
XLogP4.08
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(4-nitrophenyl)-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 71593523
6-chloro-2-N-(4-nitrophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 4187713
N-(4-nitrophenyl)-3-pyridin-2-ylnaphthalen-2-amine
CID 72736085
2-(4-nitroanilino)phenol
CID 14224817
2-N-(4-nitrophenyl)benzene-1,2-diamine
CID 13095074
4-(4-nitroanilino)-2H-phthalazin-1-one
CID 162514674
6-tert-butyl-2-N-(4-nitrophenyl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 156663716
1-naphthalen-1-yl-3-(4-nitrophenyl)urea
CID 5086557
1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
CID 3352872
N-(4-nitrophenyl)-2-nitrosoaniline
CID 14968784
5-N,6-N-bis(4-nitrophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3123790
N-(4-nitrophenyl)-4-oxochromene-3-sulfonamide
CID 14931408

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2-benzofuran-1-amine?
The IUPAC name of N-(4-nitrophenyl)-2-benzofuran-1-amine (CID 175690055) is N-(4-nitrophenyl)-2-benzofuran-1-amine.
What is the SMILES notation for N-(4-nitrophenyl)-2-benzofuran-1-amine?
The canonical SMILES for N-(4-nitrophenyl)-2-benzofuran-1-amine is O=[N+]([O-])c1ccc(Nc2occ3ccccc23)cc1.
What is the InChIKey of N-(4-nitrophenyl)-2-benzofuran-1-amine?
The InChIKey is HIKGYMWNBANBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-16(18)12-7-5-11(6-8-12)15-14-13-4-2-1-3-10(13)9-19-14/h1-9,15H.
What are the key properties of N-(4-nitrophenyl)-2-benzofuran-1-amine?
N-(4-nitrophenyl)-2-benzofuran-1-amine has a molecular weight of 254.25 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-benzofuran-1-amine is sourced from PubChem (CID 175690055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).