4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide

C19H16ClN3O — CID 135849252

IUPAC4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide
SMILESO=C(N/N=C1\CCCc2c1[nH]c1ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O/c20-13-10-8-12(9-11-13)19(24)23-22-17-7-3-5-15-14-4-1-2-6-16(14)21-18(15)17/h1-2,4,6,8-11,21H,3,5,7H2,(H,23,24)/b22-17+
InChIKeyBXFVPXHNIIMZRP-OQKWZONESA-N
MW337.81 g/mol
LogP4.29
Rot. Bonds2

About 4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide

4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide (PubChem CID 135849252) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide
PubChem CID135849252
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide
SMILESO=C(N/N=C1\CCCc2c1[nH]c1ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O/c20-13-10-8-12(9-11-13)19(24)23-22-17-7-3-5-15-14-4-1-2-6-16(14)21-18(15)17/h1-2,4,6,8-11,21H,3,5,7H2,(H,23,24)/b22-17+
InChIKeyBXFVPXHNIIMZRP-OQKWZONESA-N
XLogP4.29
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]pyridine-4-carboxamide
CID 135625915
(Z)-N-[(Z)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]-2,3,4,9-tetrahydrocarbazol-1-imine
CID 135400598
4-chloro-N-[(E)-(8-hydroxy-5-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]benzamide
CID 135755140
[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate
CID 135400453
(NE)-N-(6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene)hydroxylamine
CID 135504437
[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] cyclohexanecarboxylate
CID 135478085
4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579356
[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] furan-2-carboxylate
CID 135478084
(8E)-8-(methylhydrazinylidene)-N-pyridin-3-yl-5,6,7,9-tetrahydrocarbazole-3-carboxamide
CID 135465352
4-chloro-N-[(E)-[3-methyl-2-[[(2-phenylacetyl)amino]carbamoyl]-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]benzamide
CID 19155845
(4E)-4-[(4-chlorobenzoyl)hydrazinylidene]-N-(5-chloro-2-methylphenyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19155774
4-chloro-N-[(E)-[3-methyl-2-[[(2-phenoxyacetyl)amino]carbamoyl]-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]benzamide
CID 19155846

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide (CID 135849252) is 4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide is O=C(N/N=C1\CCCc2c1[nH]c1ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide?
The InChIKey is BXFVPXHNIIMZRP-OQKWZONESA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-13-10-8-12(9-11-13)19(24)23-22-17-7-3-5-15-14-4-1-2-6-16(14)21-18(15)17/h1-2,4,6,8-11,21H,3,5,7H2,(H,23,24)/b22-17+.
What are the key properties of 4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide?
4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide has a molecular weight of 337.81 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino]benzamide is sourced from PubChem (CID 135849252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).