N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C22H22ClN3O2 — CID 33290510

IUPACN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C22H22ClN3O2/c1-26(13-20(27)24-15-7-4-6-14(23)12-15)22(28)18-10-5-9-17-16-8-2-3-11-19(16)25-21(17)18/h4-7,9-10,12,25H,2-3,8,11,13H2,1H3,(H,24,27)
InChIKeyZORWTXNOBAKMEL-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.41
Rot. Bonds4

About N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 33290510) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID33290510
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C22H22ClN3O2/c1-26(13-20(27)24-15-7-4-6-14(23)12-15)22(28)18-10-5-9-17-16-8-2-3-11-19(16)25-21(17)18/h4-7,9-10,12,25H,2-3,8,11,13H2,1H3,(H,24,27)
InChIKeyZORWTXNOBAKMEL-UHFFFAOYSA-N
XLogP4.41
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 38624834
N-methyl-N-[2-[methyl(1,2,3,4-tetrahydrocyclopenta[b]indole-5-carbonyl)amino]ethyl]-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide
CID 166185537
N,6-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46431053
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 33230329
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 38623146
N-[2-(3-chloroanilino)-2-oxoethyl]-N,7,7-trimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56567423
1-(3-chlorophenyl)-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)thiourea
CID 5082908
2-[[2-[methyl(6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]acetyl]amino]benzoic acid
CID 45341046
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381
4-bromo-N-[2-(3-chloroanilino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide
CID 38622669
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 24982328
N-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 33289468

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 33290510) is N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1cccc2c3c([nH]c12)CCCC3.
What is the InChIKey of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is ZORWTXNOBAKMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-26(13-20(27)24-15-7-4-6-14(23)12-15)22(28)18-10-5-9-17-16-8-2-3-11-19(16)25-21(17)18/h4-7,9-10,12,25H,2-3,8,11,13H2,1H3,(H,24,27).
What are the key properties of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 33290510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).