(4-chlorophenyl)-(9-ethylcarbazol-3-yl)methanone

C21H16ClNO — CID 102080087

IUPAC(4-chlorophenyl)-(9-ethylcarbazol-3-yl)methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H16ClNO/c1-2-23-19-6-4-3-5-17(19)18-13-15(9-12-20(18)23)21(24)14-7-10-16(22)11-8-14/h3-13H,2H2,1H3
InChIKeyPVEHLRUSSIFJEZ-UHFFFAOYSA-N
MW333.82 g/mol
LogP5.70
Rot. Bonds3

About (4-chlorophenyl)-(9-ethylcarbazol-3-yl)methanone

(4-chlorophenyl)-(9-ethylcarbazol-3-yl)methanone (PubChem CID 102080087) has the molecular formula C21H16ClNO and a molecular weight of 333.82 g/mol. Its IUPAC name is (4-chlorophenyl)-(9-ethylcarbazol-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(9-ethylcarbazol-3-yl)methanone
PubChem CID102080087
Molecular FormulaC21H16ClNO
Molecular Weight333.82 g/mol
Exact Mass333.09
IUPAC Name(4-chlorophenyl)-(9-ethylcarbazol-3-yl)methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C21H16ClNO/c1-2-23-19-6-4-3-5-17(19)18-13-15(9-12-20(18)23)21(24)14-7-10-16(22)11-8-14/h3-13H,2H2,1H3
InChIKeyPVEHLRUSSIFJEZ-UHFFFAOYSA-N
XLogP5.70
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(9-ethylcarbazol-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(9-ethylcarbazol-3-yl)methanone (CID 102080087) is (4-chlorophenyl)-(9-ethylcarbazol-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(9-ethylcarbazol-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(9-ethylcarbazol-3-yl)methanone is CCn1c2ccccc2c2cc(C(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of (4-chlorophenyl)-(9-ethylcarbazol-3-yl)methanone?
The InChIKey is PVEHLRUSSIFJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO/c1-2-23-19-6-4-3-5-17(19)18-13-15(9-12-20(18)23)21(24)14-7-10-16(22)11-8-14/h3-13H,2H2,1H3.
What are the key properties of (4-chlorophenyl)-(9-ethylcarbazol-3-yl)methanone?
(4-chlorophenyl)-(9-ethylcarbazol-3-yl)methanone has a molecular weight of 333.82 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(9-ethylcarbazol-3-yl)methanone is sourced from PubChem (CID 102080087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).