N-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide

C16H12Cl2N4O — CID 59992552

IUPACN-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide
SMILESN/C(=N\NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1Cl
InChIInChI=1S/C16H12Cl2N4O/c17-10-5-6-13-9(7-10)8-14(20-13)16(23)22-21-15(19)11-3-1-2-4-12(11)18/h1-8,20H,(H2,19,21)(H,22,23)
InChIKeyQLVPKBYUZZMETP-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.53
Rot. Bonds3

About N-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide

N-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide (PubChem CID 59992552) has the molecular formula C16H12Cl2N4O and a molecular weight of 347.21 g/mol. Its IUPAC name is N-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide
PubChem CID59992552
Molecular FormulaC16H12Cl2N4O
Molecular Weight347.21 g/mol
Exact Mass346.04
IUPAC NameN-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide
SMILESN/C(=N\NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1Cl
InChIInChI=1S/C16H12Cl2N4O/c17-10-5-6-13-9(7-10)8-14(20-13)16(23)22-21-15(19)11-3-1-2-4-12(11)18/h1-8,20H,(H2,19,21)(H,22,23)
InChIKeyQLVPKBYUZZMETP-UHFFFAOYSA-N
XLogP3.53
TPSA83.27 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'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-phenylbenzoyl)-1H-indole-2-carbohydrazide
CID 10293735
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide
CID 118425264
5-chloro-N-[(E)-pyridin-3-ylmethylideneamino]-1H-indole-2-carboxamide
CID 134612400
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992565
5-chloro-N-[2-(prop-2-enylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 55556193
5-chloro-1H-indole-2-carboxylate
CID 6933350
N-(1-amino-2-hydroxy-1-oxo-4-phenylbutan-2-yl)-5-chloro-1H-indole-2-carboxamide
CID 22593878
5-chloro-N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 137279395
N-[(1R,6S)-6-aminocyclohex-3-en-1-yl]-5-chloro-1H-indole-2-carboxamide
CID 18442852

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide (CID 59992552) is N-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide is N/C(=N\NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1Cl.
What is the InChIKey of N-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide?
The InChIKey is QLVPKBYUZZMETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O/c17-10-5-6-13-9(7-10)8-14(20-13)16(23)22-21-15(19)11-3-1-2-4-12(11)18/h1-8,20H,(H2,19,21)(H,22,23).
What are the key properties of N-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide?
N-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide has a molecular weight of 347.21 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[amino-(2-chlorophenyl)methylidene]amino]-5-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 59992552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).