7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide

C17H24ClN3O — CID 108791742

IUPAC7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide
SMILESCCN(CC)CCCCNC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C17H24ClN3O/c1-3-21(4-2)11-6-5-10-19-17(22)15-12-13-8-7-9-14(18)16(13)20-15/h7-9,12,20H,3-6,10-11H2,1-2H3,(H,19,22)
InChIKeyXSTMVFWQANPQSN-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.67
Rot. Bonds8

About 7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide

7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide (PubChem CID 108791742) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide
PubChem CID108791742
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide
SMILESCCN(CC)CCCCNC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C17H24ClN3O/c1-3-21(4-2)11-6-5-10-19-17(22)15-12-13-8-7-9-14(18)16(13)20-15/h7-9,12,20H,3-6,10-11H2,1-2H3,(H,19,22)
InChIKeyXSTMVFWQANPQSN-UHFFFAOYSA-N
XLogP3.67
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carboxamide
CID 108791770
N-[2-(diethylamino)ethyl]-7-hydroxy-1H-indole-2-carboxamide
CID 14444322
7-amino-N-[2-(diethylamino)ethyl]-1H-indole-2-carboxamide
CID 63117511
7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 108804029
7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 110848308
7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide
CID 108791704
7-chloro-1H-indole-2-carbohydrazide
CID 13466352
7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 108791679
7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide
CID 108791658
N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040308
N-[5-(diethylamino)pentyl]naphthalene-1-carboxamide
CID 110440172
7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 108791722

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide (CID 108791742) is 7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide is CCN(CC)CCCCNC(=O)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide?
The InChIKey is XSTMVFWQANPQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c1-3-21(4-2)11-6-5-10-19-17(22)15-12-13-8-7-9-14(18)16(13)20-15/h7-9,12,20H,3-6,10-11H2,1-2H3,(H,19,22).
What are the key properties of 7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide?
7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide has a molecular weight of 321.85 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-(diethylamino)butyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 108791742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).