(E)-N'-(4-chlorophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-enimidamide

C23H20ClN3 — CID 59789880

IUPAC(E)-N'-(4-chlorophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-enimidamide
SMILESCCn1c2ccccc2c2cc(/C=C/C(N)=N/c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C23H20ClN3/c1-2-27-21-6-4-3-5-19(21)20-15-16(7-13-22(20)27)8-14-23(25)26-18-11-9-17(24)10-12-18/h3-15H,2H2,1H3,(H2,25,26)/b14-8+
InChIKeyRSRYVBJKFXGFHZ-RIYZIHGNSA-N
MW373.89 g/mol
LogP6.17
Rot. Bonds4

About (E)-N'-(4-chlorophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-enimidamide

(E)-N'-(4-chlorophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-enimidamide (PubChem CID 59789880) has the molecular formula C23H20ClN3 and a molecular weight of 373.89 g/mol. Its IUPAC name is (E)-N'-(4-chlorophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-enimidamide.

Molecular Properties

Compound Name(E)-N'-(4-chlorophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-enimidamide
PubChem CID59789880
Molecular FormulaC23H20ClN3
Molecular Weight373.89 g/mol
Exact Mass373.13
IUPAC Name(E)-N'-(4-chlorophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-enimidamide
SMILESCCn1c2ccccc2c2cc(/C=C/C(N)=N/c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C23H20ClN3/c1-2-27-21-6-4-3-5-19(21)20-15-16(7-13-22(20)27)8-14-23(25)26-18-11-9-17(24)10-12-18/h3-15H,2H2,1H3,(H2,25,26)/b14-8+
InChIKeyRSRYVBJKFXGFHZ-RIYZIHGNSA-N
XLogP6.17
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.89
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N'-(4-chlorophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-enimidamide?
The IUPAC name of (E)-N'-(4-chlorophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-enimidamide (CID 59789880) is (E)-N'-(4-chlorophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-enimidamide.
What is the SMILES notation for (E)-N'-(4-chlorophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-enimidamide?
The canonical SMILES for (E)-N'-(4-chlorophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-enimidamide is CCn1c2ccccc2c2cc(/C=C/C(N)=N/c3ccc(Cl)cc3)ccc21.
What is the InChIKey of (E)-N'-(4-chlorophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-enimidamide?
The InChIKey is RSRYVBJKFXGFHZ-RIYZIHGNSA-N. The full InChI is InChI=1S/C23H20ClN3/c1-2-27-21-6-4-3-5-19(21)20-15-16(7-13-22(20)27)8-14-23(25)26-18-11-9-17(24)10-12-18/h3-15H,2H2,1H3,(H2,25,26)/b14-8+.
What are the key properties of (E)-N'-(4-chlorophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-enimidamide?
(E)-N'-(4-chlorophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-enimidamide has a molecular weight of 373.89 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(4-chlorophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-enimidamide is sourced from PubChem (CID 59789880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).