N-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine

C15H12BrClN2O2 — CID 115348913

IUPACN-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
SMILESO=[N+]([O-])c1cc(Br)ccc1NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C15H12BrClN2O2/c16-11-2-4-14(15(8-11)19(20)21)18-13-6-9-1-3-12(17)5-10(9)7-13/h1-5,8,13,18H,6-7H2
InChIKeyOQMDOJDQJWJSRR-UHFFFAOYSA-N
MW367.63 g/mol
LogP4.59
Rot. Bonds3

About N-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine

N-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine (PubChem CID 115348913) has the molecular formula C15H12BrClN2O2 and a molecular weight of 367.63 g/mol. Its IUPAC name is N-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
PubChem CID115348913
Molecular FormulaC15H12BrClN2O2
Molecular Weight367.63 g/mol
Exact Mass365.98
IUPAC NameN-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
SMILESO=[N+]([O-])c1cc(Br)ccc1NC1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C15H12BrClN2O2/c16-11-2-4-14(15(8-11)19(20)21)18-13-6-9-1-3-12(17)5-10(9)7-13/h1-5,8,13,18H,6-7H2
InChIKeyOQMDOJDQJWJSRR-UHFFFAOYSA-N
XLogP4.59
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-chloro-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348856
N-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline
CID 63463983
N-(2-bromo-4-methylphenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine
CID 115348594
4-bromo-2-nitro-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 62896684
4-bromo-2-nitro-N-(4-propylcyclohexyl)aniline
CID 43746554
1-N-(4-bromo-2-nitrophenyl)cyclohexane-1,3-diamine
CID 79458199
N-(4-chloro-2-nitrophenyl)-2-thiaspiro[3.3]heptan-6-amine
CID 141428223
(3R)-N-(4-bromo-2-nitrophenyl)-1,1-dioxothian-3-amine
CID 95264025
N-(4-bromo-2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222294
4-bromo-N-[(4-chlorophenyl)methyl]-2-nitroaniline
CID 14952985
(4S)-N-(4-chloro-2-nitrophenyl)-1,1-dioxo-1,2-thiazolidin-4-amine
CID 125493217
4-chloro-2-nitro-N-(3-phenylcyclobutyl)aniline
CID 43686373

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine (CID 115348913) is N-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine is O=[N+]([O-])c1cc(Br)ccc1NC1Cc2ccc(Cl)cc2C1.
What is the InChIKey of N-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine?
The InChIKey is OQMDOJDQJWJSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O2/c16-11-2-4-14(15(8-11)19(20)21)18-13-6-9-1-3-12(17)5-10(9)7-13/h1-5,8,13,18H,6-7H2.
What are the key properties of N-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine?
N-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine has a molecular weight of 367.63 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-nitrophenyl)-5-chloro-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 115348913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).