5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide

C22H16ClN3O2 — CID 10293735

IUPAC5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1-c1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C22H16ClN3O2/c23-16-10-11-19-15(12-16)13-20(24-19)22(28)26-25-21(27)18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13,24H,(H,25,27)(H,26,28)
InChIKeyANMPPZLWQYNSEF-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.56
Rot. Bonds3

About 5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide

5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide (PubChem CID 10293735) has the molecular formula C22H16ClN3O2 and a molecular weight of 389.84 g/mol. Its IUPAC name is 5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide
PubChem CID10293735
Molecular FormulaC22H16ClN3O2
Molecular Weight389.84 g/mol
Exact Mass389.09
IUPAC Name5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1-c1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C22H16ClN3O2/c23-16-10-11-19-15(12-16)13-20(24-19)22(28)26-25-21(27)18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13,24H,(H,25,27)(H,26,28)
InChIKeyANMPPZLWQYNSEF-UHFFFAOYSA-N
XLogP4.56
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.56
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

5-chloro-N'-(2,3-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992512
5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992565
N'-(5-chloro-1H-indole-2-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55559724
5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide
CID 118425264
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
[2-[[(5-chloro-1H-indole-2-carbonyl)amino]carbamoyl]phenyl]carbamoyl 4-methylbenzenesulfonate
CID 87987049
N-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide
CID 59992552
N'-(5-chloro-2-methoxybenzoyl)-5-fluoro-1H-indole-2-carbohydrazide
CID 39977758
5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 55556193
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
5-chloro-N'-(oxane-4-carbonyl)-1H-indole-2-carbohydrazide
CID 11255709
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide (CID 10293735) is 5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide is O=C(NNC(=O)c1ccccc1-c1ccccc1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide?
The InChIKey is ANMPPZLWQYNSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O2/c23-16-10-11-19-15(12-16)13-20(24-19)22(28)26-25-21(27)18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13,24H,(H,25,27)(H,26,28).
What are the key properties of 5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide?
5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide has a molecular weight of 389.84 g/mol, XLogP of 4.56, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(2-phenylbenzoyl)-1H-indole-2-carbohydrazide is sourced from PubChem (CID 10293735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).