4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide

C22H18ClN3O — CID 4508320

IUPAC4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide
SMILESCCn1c2ccccc2c2cc(C=NNC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H18ClN3O/c1-2-26-20-6-4-3-5-18(20)19-13-15(7-12-21(19)26)14-24-25-22(27)16-8-10-17(23)11-9-16/h3-14H,2H2,1H3,(H,25,27)
InChIKeyFRMNFKWCXXLPQO-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.23
Rot. Bonds4

About 4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide

4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide (PubChem CID 4508320) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide
PubChem CID4508320
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide
SMILESCCn1c2ccccc2c2cc(C=NNC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H18ClN3O/c1-2-26-20-6-4-3-5-18(20)19-13-15(7-12-21(19)26)14-24-25-22(27)16-8-10-17(23)11-9-16/h3-14H,2H2,1H3,(H,25,27)
InChIKeyFRMNFKWCXXLPQO-UHFFFAOYSA-N
XLogP5.23
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 71554995
N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-iodobenzamide
CID 78110173
N-[(9-ethylcarbazol-3-yl)methylideneamino]-4-(propanoylamino)benzamide
CID 1010292
N-[(9-ethylcarbazol-3-yl)methylideneamino]-3,5-dihydroxybenzamide
CID 1011382
3-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 5172724
N-[1-[(2Z)-2-[(9-ethylcarbazol-3-yl)methylidene]hydrazinyl]-3-methyl-1-oxobut-2-en-2-yl]benzamide
CID 92847405
1-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-3-phenylurea
CID 5432015
N-[(E)-benzylideneamino]-4-(carbazol-9-ylmethyl)benzamide
CID 177459672
1-benzyl-N-[(E)-(4-chlorophenyl)methylideneamino]-2,3-dimethylindole-5-carboxamide
CID 6875064
trans-(1S,2S)-N-[(Z)-(9-ethylcarbazol-3-yl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6577123
(E)-3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)-2-(4-fluorophenyl)prop-2-enamide
CID 2332079
N-[(9-ethylcarbazol-3-yl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 3506862

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide (CID 4508320) is 4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide is CCn1c2ccccc2c2cc(C=NNC(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide?
The InChIKey is FRMNFKWCXXLPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-2-26-20-6-4-3-5-18(20)19-13-15(7-12-21(19)26)14-24-25-22(27)16-8-10-17(23)11-9-16/h3-14H,2H2,1H3,(H,25,27).
What are the key properties of 4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide?
4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide has a molecular weight of 375.86 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 4508320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).