4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide

C17H22ClN5O3 — CID 51362206

IUPAC4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide
SMILESCN(C)CCNC(=O)CCC(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C17H22ClN5O3/c1-23(2)8-7-19-15(24)5-6-16(25)21-22-17(26)14-10-11-9-12(18)3-4-13(11)20-14/h3-4,9-10,20H,5-8H2,1-2H3,(H,19,24)(H,21,25)(H,22,26)
InChIKeyHRYYNIZPFFPFGF-UHFFFAOYSA-N
MW379.85 g/mol
LogP1.04
Rot. Bonds7

About 4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide

4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide (PubChem CID 51362206) has the molecular formula C17H22ClN5O3 and a molecular weight of 379.85 g/mol. Its IUPAC name is 4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide
PubChem CID51362206
Molecular FormulaC17H22ClN5O3
Molecular Weight379.85 g/mol
Exact Mass379.14
IUPAC Name4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide
SMILESCN(C)CCNC(=O)CCC(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C17H22ClN5O3/c1-23(2)8-7-19-15(24)5-6-16(25)21-22-17(26)14-10-11-9-12(18)3-4-13(11)20-14/h3-4,9-10,20H,5-8H2,1-2H3,(H,19,24)(H,21,25)(H,22,26)
InChIKeyHRYYNIZPFFPFGF-UHFFFAOYSA-N
XLogP1.04
TPSA106.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
CID 113207116
5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992565
5-chloro-N'-(2,3-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992512
6-amino-N-[2-(dimethylamino)ethyl]-1H-indole-2-carboxamide
CID 86759764
5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide
CID 111542931
2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 67968231
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
2-[[5-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-indole-2-carbonyl]amino]ethylcarbamic acid
CID 135122252
1-(5-chloro-1H-indol-2-yl)heptan-1-one
CID 66777278

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide?
The IUPAC name of 4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide (CID 51362206) is 4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide?
The canonical SMILES for 4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide is CN(C)CCNC(=O)CCC(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide?
The InChIKey is HRYYNIZPFFPFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O3/c1-23(2)8-7-19-15(24)5-6-16(25)21-22-17(26)14-10-11-9-12(18)3-4-13(11)20-14/h3-4,9-10,20H,5-8H2,1-2H3,(H,19,24)(H,21,25)(H,22,26).
What are the key properties of 4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide?
4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide has a molecular weight of 379.85 g/mol, XLogP of 1.04, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-1H-indole-2-carbonyl)hydrazinyl]-N-[2-(dimethylamino)ethyl]-4-oxobutanamide is sourced from PubChem (CID 51362206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).