3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide

C24H21ClFN3O3 — CID 70876141

IUPAC3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(C2C=C(Cl)C=C(F)C2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12
InChIInChI=1S/C24H21ClFN3O3/c25-16-7-14(8-17(26)12-16)15-10-19-18-9-13(24(31)29-3-5-32-6-4-29)1-2-21(18)28-22(19)20(11-15)23(27)30/h1-2,7,9-12,14,28H,3-6,8H2,(H2,27,30)
InChIKeyBYHQEXLCAREBDN-UHFFFAOYSA-N
MW453.90 g/mol
LogP4.36
Rot. Bonds3

About 3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide

3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 70876141) has the molecular formula C24H21ClFN3O3 and a molecular weight of 453.90 g/mol. Its IUPAC name is 3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
PubChem CID70876141
Molecular FormulaC24H21ClFN3O3
Molecular Weight453.90 g/mol
Exact Mass453.13
IUPAC Name3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(C2C=C(Cl)C=C(F)C2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12
InChIInChI=1S/C24H21ClFN3O3/c25-16-7-14(8-17(26)12-16)15-10-19-18-9-13(24(31)29-3-5-32-6-4-29)1-2-21(18)28-22(19)20(11-15)23(27)30/h1-2,7,9-12,14,28H,3-6,8H2,(H2,27,30)
InChIKeyBYHQEXLCAREBDN-UHFFFAOYSA-N
XLogP4.36
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.90
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-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

CID 90383768
CID 90383768
tert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate
CID 66604497
3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605846
7-(morpholine-4-carbonyl)-3-(2-phenylethenyl)-9H-carbazole-1-carboxamide
CID 66605058
3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66604597
3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605501
3-(3,4-dichlorophenyl)-6-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide
CID 66604875
7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide
CID 66605414
3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 66604954
3-(3,4-dichlorophenyl)-6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-9H-carbazole-1-carboxamide
CID 66605845
2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 89054047
4-amino-3-fluoro-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 145069415

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide (CID 70876141) is 3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is NC(=O)c1cc(C2C=C(Cl)C=C(F)C2)cc2c1[nH]c1ccc(C(=O)N3CCOCC3)cc12.
What is the InChIKey of 3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is BYHQEXLCAREBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O3/c25-16-7-14(8-17(26)12-16)15-10-19-18-9-13(24(31)29-3-5-32-6-4-29)1-2-21(18)28-22(19)20(11-15)23(27)30/h1-2,7,9-12,14,28H,3-6,8H2,(H2,27,30).
What are the key properties of 3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide?
3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 453.90 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-fluorocyclohexa-2,4-dien-1-yl)-6-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 70876141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).