N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide

C17H14BrN3O — CID 70129332

IUPACN-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NN=Cc2ccc(Br)cc2)[nH]c2ccccc12
InChIInChI=1S/C17H14BrN3O/c1-11-14-4-2-3-5-15(14)20-16(11)17(22)21-19-10-12-6-8-13(18)9-7-12/h2-10,20H,1H3,(H,21,22)
InChIKeyQDRACQFMGALPNW-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.00
Rot. Bonds3

About N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide

N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide (PubChem CID 70129332) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide
PubChem CID70129332
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC NameN-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)NN=Cc2ccc(Br)cc2)[nH]c2ccccc12
InChIInChI=1S/C17H14BrN3O/c1-11-14-4-2-3-5-15(14)20-16(11)17(22)21-19-10-12-6-8-13(18)9-7-12/h2-10,20H,1H3,(H,21,22)
InChIKeyQDRACQFMGALPNW-UHFFFAOYSA-N
XLogP4.00
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide
CID 10200017
N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10273493
4-[[2-[[(E)-(4-carboxyphenyl)methylideneamino]carbamoyl]-1H-indol-3-yl]iminomethyl]benzoic acid
CID 14983887
3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
CID 14983896
N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464455
N-[(E)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide
CID 6878137
N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide
CID 14983889
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
CID 14983883
5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 135517136
N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70159294
N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide
CID 1377406
5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10203805

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide (CID 70129332) is N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide is Cc1c(C(=O)NN=Cc2ccc(Br)cc2)[nH]c2ccccc12.
What is the InChIKey of N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide?
The InChIKey is QDRACQFMGALPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c1-11-14-4-2-3-5-15(14)20-16(11)17(22)21-19-10-12-6-8-13(18)9-7-12/h2-10,20H,1H3,(H,21,22).
What are the key properties of N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide?
N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide has a molecular weight of 356.22 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 70129332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).