N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide

C17H13ClN4O3 — CID 6103084

IUPACN-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide
SMILESCc1c(C(=O)N/N=C\c2ccc(Cl)cc2)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C17H13ClN4O3/c1-10-14-8-13(22(24)25)6-7-15(14)20-16(10)17(23)21-19-9-11-2-4-12(18)5-3-11/h2-9,20H,1H3,(H,21,23)/b19-9-
InChIKeyRTEWXQCRVQRAQE-OCKHKDLRSA-N
MW356.77 g/mol
LogP3.80
Rot. Bonds4

About N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide

N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide (PubChem CID 6103084) has the molecular formula C17H13ClN4O3 and a molecular weight of 356.77 g/mol. Its IUPAC name is N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide
PubChem CID6103084
Molecular FormulaC17H13ClN4O3
Molecular Weight356.77 g/mol
Exact Mass356.07
IUPAC NameN-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide
SMILESCc1c(C(=O)N/N=C\c2ccc(Cl)cc2)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C17H13ClN4O3/c1-10-14-8-13(22(24)25)6-7-15(14)20-16(10)17(23)21-19-9-11-2-4-12(18)5-3-11/h2-9,20H,1H3,(H,21,23)/b19-9-
InChIKeyRTEWXQCRVQRAQE-OCKHKDLRSA-N
XLogP3.80
TPSA100.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 4309657
N-[(E)-(3-chlorophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 10295546
3-methyl-5-nitro-1H-indole-2-carboxylate
CID 6963900
3-(4-chlorophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5342962
N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide
CID 70129332
N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide
CID 14983889
1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
CID 10543618
N-[(4-chlorophenyl)methylideneamino]-5-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 70119737
4-bromo-N-[(E)-(2-methyl-5-nitro-1H-indol-3-yl)methylideneamino]benzamide
CID 135571937
N-[(E)-(4-chlorophenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 6862320
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitro-3-phenyl-1H-indole-2-carboxamide
CID 136897273
N-[(E)-(4-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 6869209

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide?
The IUPAC name of N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide (CID 6103084) is N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide is Cc1c(C(=O)N/N=C\c2ccc(Cl)cc2)[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide?
The InChIKey is RTEWXQCRVQRAQE-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H13ClN4O3/c1-10-14-8-13(22(24)25)6-7-15(14)20-16(10)17(23)21-19-9-11-2-4-12(18)5-3-11/h2-9,20H,1H3,(H,21,23)/b19-9-.
What are the key properties of N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide?
N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide has a molecular weight of 356.77 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-chlorophenyl)methylideneamino]-3-methyl-5-nitro-1H-indole-2-carboxamide is sourced from PubChem (CID 6103084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).