1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide

C19H21ClN2O2 — CID 113212529

IUPAC1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NCCC2=CCCCC2)c2cc(Cl)ccc21
InChIInChI=1S/C19H21ClN2O2/c1-13(23)22-12-17(16-11-15(20)7-8-18(16)22)19(24)21-10-9-14-5-3-2-4-6-14/h5,7-8,11-12H,2-4,6,9-10H2,1H3,(H,21,24)
InChIKeyROWQFZHSYVCILQ-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.58
Rot. Bonds4

About 1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide

1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide (PubChem CID 113212529) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide
PubChem CID113212529
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)NCCC2=CCCCC2)c2cc(Cl)ccc21
InChIInChI=1S/C19H21ClN2O2/c1-13(23)22-12-17(16-11-15(20)7-8-18(16)22)19(24)21-10-9-14-5-3-2-4-6-14/h5,7-8,11-12H,2-4,6,9-10H2,1H3,(H,21,24)
InChIKeyROWQFZHSYVCILQ-UHFFFAOYSA-N
XLogP4.58
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
1-acetyl-5-chloro-N-(3-methylbutyl)indole-3-carboxamide
CID 113212590
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497737
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
1-acetyl-5-chloro-N-[(2-methylphenyl)methyl]indole-3-carboxamide
CID 113212543
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 20877446
N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133148
N-(4-acetamidophenyl)-1-acetyl-5-chloroindole-3-carboxamide
CID 113212650
N-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trimethoxybenzamide
CID 838037
2-chloro-N-[2-(cyclopenten-1-yl)ethyl]-5-sulfanylbenzamide
CID 114153831
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939869

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide?
The IUPAC name of 1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide (CID 113212529) is 1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide.
What is the SMILES notation for 1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide?
The canonical SMILES for 1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide is CC(=O)n1cc(C(=O)NCCC2=CCCCC2)c2cc(Cl)ccc21.
What is the InChIKey of 1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide?
The InChIKey is ROWQFZHSYVCILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13(23)22-12-17(16-11-15(20)7-8-18(16)22)19(24)21-10-9-14-5-3-2-4-6-14/h5,7-8,11-12H,2-4,6,9-10H2,1H3,(H,21,24).
What are the key properties of 1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide?
1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide has a molecular weight of 344.84 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide is sourced from PubChem (CID 113212529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).