N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide

C19H17Cl2N3O2 — CID 55821579

IUPACN'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide
SMILESO=C(CCCc1ccc(Cl)c(Cl)c1)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17Cl2N3O2/c20-15-9-8-12(10-16(15)21)4-3-7-18(25)23-24-19(26)14-11-22-17-6-2-1-5-13(14)17/h1-2,5-6,8-11,22H,3-4,7H2,(H,23,25)(H,24,26)
InChIKeyQZZSGZZZQZYVLM-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.26
Rot. Bonds5

About N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide

N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide (PubChem CID 55821579) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide
PubChem CID55821579
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC NameN'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide
SMILESO=C(CCCc1ccc(Cl)c(Cl)c1)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17Cl2N3O2/c20-15-9-8-12(10-16(15)21)4-3-7-18(25)23-24-19(26)14-11-22-17-6-2-1-5-13(14)17/h1-2,5-6,8-11,22H,3-4,7H2,(H,23,25)(H,24,26)
InChIKeyQZZSGZZZQZYVLM-UHFFFAOYSA-N
XLogP4.26
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(3,4-dichlorophenyl)butanoyl]-2-methylbenzohydrazide
CID 55822719
N'-pentanoyl-1H-indole-3-carbohydrazide
CID 134008164
2-(3,4-dichlorophenyl)-1-(1H-indol-3-yl)ethanone
CID 63490590
N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide
CID 27691367
N-[2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 27692653
N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide
CID 78800173
N'-[3-(1,3-benzothiazol-2-yl)propanoyl]-1H-indole-3-carbohydrazide
CID 27691817
N-[3-[2-(1H-indole-3-carbonyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 30455818
2-chloro-N'-[2-(3,4-dichlorophenyl)acetyl]benzohydrazide
CID 2117207
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide?
The IUPAC name of N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide (CID 55821579) is N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide is O=C(CCCc1ccc(Cl)c(Cl)c1)NNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide?
The InChIKey is QZZSGZZZQZYVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c20-15-9-8-12(10-16(15)21)4-3-7-18(25)23-24-19(26)14-11-22-17-6-2-1-5-13(14)17/h1-2,5-6,8-11,22H,3-4,7H2,(H,23,25)(H,24,26).
What are the key properties of N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide?
N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide has a molecular weight of 390.27 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide is sourced from PubChem (CID 55821579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).