N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide

C18H16ClN3O4 — CID 30455952

IUPACN'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cc(Cl)c1OC
InChIInChI=1S/C18H16ClN3O4/c1-25-15-8-10(7-13(19)16(15)26-2)17(23)21-22-18(24)12-9-20-14-6-4-3-5-11(12)14/h3-9,20H,1-2H3,(H,21,23)(H,22,24)
InChIKeyFDISROITHKLNEL-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.91
Rot. Bonds4

About N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide

N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide (PubChem CID 30455952) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide
PubChem CID30455952
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC NameN'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cc(Cl)c1OC
InChIInChI=1S/C18H16ClN3O4/c1-25-15-8-10(7-13(19)16(15)26-2)17(23)21-22-18(24)12-9-20-14-6-4-3-5-11(12)14/h3-9,20H,1-2H3,(H,21,23)(H,22,24)
InChIKeyFDISROITHKLNEL-UHFFFAOYSA-N
XLogP2.91
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455105
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
CID 35930780
3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N'-benzoyl-3,5-dichloro-4-methoxybenzohydrazide
CID 51218002
N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 39848788
4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide
CID 55602361
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
N'-(2-chlorobenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide
CID 35930751
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 8013162
N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4805458

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide?
The IUPAC name of N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide (CID 30455952) is N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide is COc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc23)cc(Cl)c1OC.
What is the InChIKey of N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide?
The InChIKey is FDISROITHKLNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-25-15-8-10(7-13(19)16(15)26-2)17(23)21-22-18(24)12-9-20-14-6-4-3-5-11(12)14/h3-9,20H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide?
N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide has a molecular weight of 373.80 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide is sourced from PubChem (CID 30455952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).