N-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C20H18ClF2N3O2 — CID 23470527

IUPACN-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCc2[nH]c3c(F)cc(F)cc3c2C1
InChIInChI=1S/C20H18ClF2N3O2/c1-25(10-11-2-3-14(26(27)28)9-17(11)21)13-4-5-19-15(8-13)16-6-12(22)7-18(23)20(16)24-19/h2-3,6-7,9,13,24H,4-5,8,10H2,1H3
InChIKeyOEKIZXYUTNDSHE-UHFFFAOYSA-N
MW405.83 g/mol
LogP5.00
Rot. Bonds4

About N-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

N-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 23470527) has the molecular formula C20H18ClF2N3O2 and a molecular weight of 405.83 g/mol. Its IUPAC name is N-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID23470527
Molecular FormulaC20H18ClF2N3O2
Molecular Weight405.83 g/mol
Exact Mass405.11
IUPAC NameN-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCc2[nH]c3c(F)cc(F)cc3c2C1
InChIInChI=1S/C20H18ClF2N3O2/c1-25(10-11-2-3-14(26(27)28)9-17(11)21)13-4-5-19-15(8-13)16-6-12(22)7-18(23)20(16)24-19/h2-3,6-7,9,13,24H,4-5,8,10H2,1H3
InChIKeyOEKIZXYUTNDSHE-UHFFFAOYSA-N
XLogP5.00
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl-methyl-{2-[2-(3-nitro-phenyl)-1H-indol-3-yl]-ethyl}-amine
CID 44324041
3-[1-(4-fluorophenyl)-2-nitroethyl]-2-phenyl-1H-indole
CID 4164761
2-(4-(2-(2-chlorophenyl)-3-fluoro-1H-indol-5-yl)piperidin-1-yl)-N-methylethanamine
CID 58730780
4-(2-chlorophenyl)-1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 16196212
{2-[2-(3,5-Dimethyl-phenyl)-1H-indol-3-yl]-ethyl}-[4-(4-nitro-phenyl)-butyl]-amine
CID 44267086
N-[(2-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-3,4-dimethylaniline
CID 76310295
2-(2-fluorophenyl)-3-(2-nitro-1-phenylethyl)-1H-indole
CID 155519822
4-fluoro-3-(2-nitro-1-phenylethyl)-2-phenyl-1H-indole
CID 155521781
3-[1-(2-fluorophenyl)-2-nitroethyl]-2-phenyl-1H-indole
CID 155527981
6-fluoro-2-(3-fluorophenyl)-3-[1-(2-fluorophenyl)-2-nitroethyl]-1H-indole
CID 155532408
2-(3-fluorophenyl)-3-(2-nitro-1-phenylethyl)-1H-indole
CID 155535538
6-fluoro-3-[1-(2-fluorophenyl)-2-nitroethyl]-2-phenyl-1H-indole
CID 155537440

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of N-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 23470527) is N-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for N-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for N-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is CN(Cc1ccc([N+](=O)[O-])cc1Cl)C1CCc2[nH]c3c(F)cc(F)cc3c2C1.
What is the InChIKey of N-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is OEKIZXYUTNDSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O2/c1-25(10-11-2-3-14(26(27)28)9-17(11)21)13-4-5-19-15(8-13)16-6-12(22)7-18(23)20(16)24-19/h2-3,6-7,9,13,24H,4-5,8,10H2,1H3.
What are the key properties of N-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
N-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 405.83 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 23470527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).