3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide

C23H21ClN2O — CID 100589996

IUPAC3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C23H21ClN2O/c1-2-26-21-6-4-3-5-19(21)20-15-18(12-13-22(20)26)25-23(27)14-9-16-7-10-17(24)11-8-16/h3-8,10-13,15H,2,9,14H2,1H3,(H,25,27)
InChIKeyXKBURYLZOOCAKF-UHFFFAOYSA-N
MW376.89 g/mol
LogP6.04
Rot. Bonds5

About 3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide

3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide (PubChem CID 100589996) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide
PubChem CID100589996
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3ccc(Cl)cc3)ccc21
InChIInChI=1S/C23H21ClN2O/c1-2-26-21-6-4-3-5-19(21)20-15-18(12-13-22(20)26)25-23(27)14-9-16-7-10-17(24)11-8-16/h3-8,10-13,15H,2,9,14H2,1H3,(H,25,27)
InChIKeyXKBURYLZOOCAKF-UHFFFAOYSA-N
XLogP6.04
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
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N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
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4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide
CID 51362577
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide
CID 22458822
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458850
N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide
CID 10139137
1-[(4-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-3-carboxamide
CID 43926053

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide (CID 100589996) is 3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide is CCn1c2ccccc2c2cc(NC(=O)CCc3ccc(Cl)cc3)ccc21.
What is the InChIKey of 3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide?
The InChIKey is XKBURYLZOOCAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O/c1-2-26-21-6-4-3-5-19(21)20-15-18(12-13-22(20)26)25-23(27)14-9-16-7-10-17(24)11-8-16/h3-8,10-13,15H,2,9,14H2,1H3,(H,25,27).
What are the key properties of 3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide?
3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide has a molecular weight of 376.89 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide is sourced from PubChem (CID 100589996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).