N'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide

C18H16ClN3O2 — CID 35932108

IUPACN'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide
SMILESCc1cc(C)c2cc(C(=O)NNC(=O)c3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C18H16ClN3O2/c1-10-7-11(2)13-9-16(20-15(13)8-10)18(24)22-21-17(23)12-5-3-4-6-14(12)19/h3-9,20H,1-2H3,(H,21,23)(H,22,24)
InChIKeyPNDJLAFWLNGLFM-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.51
Rot. Bonds2

About N'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide

N'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide (PubChem CID 35932108) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide
PubChem CID35932108
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide
SMILESCc1cc(C)c2cc(C(=O)NNC(=O)c3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C18H16ClN3O2/c1-10-7-11(2)13-9-16(20-15(13)8-10)18(24)22-21-17(23)12-5-3-4-6-14(12)19/h3-9,20H,1-2H3,(H,21,23)(H,22,24)
InChIKeyPNDJLAFWLNGLFM-UHFFFAOYSA-N
XLogP3.51
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.51
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-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 2742882
4,6-dimethyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-1H-indole-2-carbohydrazide
CID 46663425
N-(4-fluorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 46669157
4,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide
CID 38432063
N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 60571067
N'-[2-(4-ethoxyphenoxy)propanoyl]-4,6-dimethyl-1H-indole-2-carbohydrazide
CID 46663449
[2-(benzylamino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 55471138
4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide
CID 124674116
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 34241355
(4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 35788544
N-[3-(2-hydroxyethoxy)propyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 110022441
4,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
CID 29370625

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide (CID 35932108) is N'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide is Cc1cc(C)c2cc(C(=O)NNC(=O)c3ccccc3Cl)[nH]c2c1.
What is the InChIKey of N'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide?
The InChIKey is PNDJLAFWLNGLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-10-7-11(2)13-9-16(20-15(13)8-10)18(24)22-21-17(23)12-5-3-4-6-14(12)19/h3-9,20H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide?
N'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide has a molecular weight of 341.80 g/mol, XLogP of 3.51, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-4,6-dimethyl-1H-indole-2-carbohydrazide is sourced from PubChem (CID 35932108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).