N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C21H20BrN3O2 — CID 110337611

IUPACN-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1Br
InChIInChI=1S/C21H20BrN3O2/c1-27-20-9-6-13(10-17(20)22)12-23-25-21(26)14-7-8-19-16(11-14)15-4-2-3-5-18(15)24-19/h6-12,24H,2-5H2,1H3,(H,25,26)/b23-12+
InChIKeyXFRQEBVBWFXNBB-FSJBWODESA-N
MW426.31 g/mol
LogP4.58
Rot. Bonds4

About N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 110337611) has the molecular formula C21H20BrN3O2 and a molecular weight of 426.31 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID110337611
Molecular FormulaC21H20BrN3O2
Molecular Weight426.31 g/mol
Exact Mass425.07
IUPAC NameN-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1Br
InChIInChI=1S/C21H20BrN3O2/c1-27-20-9-6-13(10-17(20)22)12-23-25-21(26)14-7-8-19-16(11-14)15-4-2-3-5-18(15)24-19/h6-12,24H,2-5H2,1H3,(H,25,26)/b23-12+
InChIKeyXFRQEBVBWFXNBB-FSJBWODESA-N
XLogP4.58
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide 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-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110339454
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110337304
N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538172
N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110338143
N-[(Z)-(3-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538215
N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110340836
N-[(Z)-(3-propoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538161
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 7368869
N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110340901
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 126309366
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215777
N-[(Z)-furan-2-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 112538210

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 110337611) is N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is COc1ccc(/C=N/NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1Br.
What is the InChIKey of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is XFRQEBVBWFXNBB-FSJBWODESA-N. The full InChI is InChI=1S/C21H20BrN3O2/c1-27-20-9-6-13(10-17(20)22)12-23-25-21(26)14-7-8-19-16(11-14)15-4-2-3-5-18(15)24-19/h6-12,24H,2-5H2,1H3,(H,25,26)/b23-12+.
What are the key properties of N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 426.31 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 110337611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).