N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide

C19H15BrCl2N2O — CID 92768183

IUPACN-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide
SMILESO=C(N[C@@H]1CCc2[nH]c3ccc(Br)cc3c2C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H15BrCl2N2O/c20-11-2-5-17-13(8-11)14-9-12(3-6-18(14)24-17)23-19(25)10-1-4-15(21)16(22)7-10/h1-2,4-5,7-8,12,24H,3,6,9H2,(H,23,25)/t12-/m1/s1
InChIKeyRDQJQENHOVTAAN-GFCCVEGCSA-N
MW438.15 g/mol
LogP5.52
Rot. Bonds2

About N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide

N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide (PubChem CID 92768183) has the molecular formula C19H15BrCl2N2O and a molecular weight of 438.15 g/mol. Its IUPAC name is N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide
PubChem CID92768183
Molecular FormulaC19H15BrCl2N2O
Molecular Weight438.15 g/mol
Exact Mass435.97
IUPAC NameN-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide
SMILESO=C(N[C@@H]1CCc2[nH]c3ccc(Br)cc3c2C1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H15BrCl2N2O/c20-11-2-5-17-13(8-11)14-9-12(3-6-18(14)24-17)23-19(25)10-1-4-15(21)16(22)7-10/h1-2,4-5,7-8,12,24H,3,6,9H2,(H,23,25)/t12-/m1/s1
InChIKeyRDQJQENHOVTAAN-GFCCVEGCSA-N
XLogP5.52
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.15
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide 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

N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,5-dimethoxybenzamide
CID 92768204
1-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 155680779
N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4-methylcyclohexane-1-carboxamide
CID 92758417
3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096785
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide
CID 113096983
(2R)-N-[(3S)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-4,4,4-trifluoro-2-methylbutanamide
CID 92758575
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-methylcyclohexa-2,5-diene-1-carboxamide
CID 46098178
3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097069
3,4-dichloro-N-(4-oxocyclohexyl)benzamide
CID 43652866
2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096862
4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097133
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide?
The IUPAC name of N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide (CID 92768183) is N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide is O=C(N[C@@H]1CCc2[nH]c3ccc(Br)cc3c2C1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide?
The InChIKey is RDQJQENHOVTAAN-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H15BrCl2N2O/c20-11-2-5-17-13(8-11)14-9-12(3-6-18(14)24-17)23-19(25)10-1-4-15(21)16(22)7-10/h1-2,4-5,7-8,12,24H,3,6,9H2,(H,23,25)/t12-/m1/s1.
What are the key properties of N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide?
N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide has a molecular weight of 438.15 g/mol, XLogP of 5.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-6-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-3,4-dichlorobenzamide is sourced from PubChem (CID 92768183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).