2-(4-bromophenyl)-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]acetamide

C17H13BrClN3O — CID 136764634

IUPAC2-(4-bromophenyl)-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C\c1c(Cl)[nH]c2ccccc12
InChIInChI=1S/C17H13BrClN3O/c18-12-7-5-11(6-8-12)9-16(23)22-20-10-14-13-3-1-2-4-15(13)21-17(14)19/h1-8,10,21H,9H2,(H,22,23)/b20-10-
InChIKeyLJBOYYYARNTSCT-JMIUGGIZSA-N
MW390.67 g/mol
LogP4.28
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]acetamide

2-(4-bromophenyl)-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]acetamide (PubChem CID 136764634) has the molecular formula C17H13BrClN3O and a molecular weight of 390.67 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]acetamide
PubChem CID136764634
Molecular FormulaC17H13BrClN3O
Molecular Weight390.67 g/mol
Exact Mass388.99
IUPAC Name2-(4-bromophenyl)-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]acetamide
SMILESO=C(Cc1ccc(Br)cc1)N/N=C\c1c(Cl)[nH]c2ccccc12
InChIInChI=1S/C17H13BrClN3O/c18-12-7-5-11(6-8-12)9-16(23)22-20-10-14-13-3-1-2-4-15(13)21-17(14)19/h1-8,10,21H,9H2,(H,22,23)/b20-10-
InChIKeyLJBOYYYARNTSCT-JMIUGGIZSA-N
XLogP4.28
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 5371768
N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 135648428
2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 98050723
3-chloro-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 136689728
2-(4-bromophenyl)-N-[(E)-[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]acetamide
CID 19061642
N-[(E)-(2-chloro-1H-indol-3-yl)methylideneamino]-5-methylpyrazolidine-3-carboxamide
CID 137295628
2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 19061644
2-(4-bromophenyl)-N-[(E)-[2-[(4-iodophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 19061640
2-(4-bromophenyl)-N-[(E)-(3,5-dibromo-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 98050540
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 136874831
2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135674723
2-(4-bromo-2,6-dimethylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 4660446

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]acetamide (CID 136764634) is 2-(4-bromophenyl)-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]acetamide is O=C(Cc1ccc(Br)cc1)N/N=C\c1c(Cl)[nH]c2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]acetamide?
The InChIKey is LJBOYYYARNTSCT-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H13BrClN3O/c18-12-7-5-11(6-8-12)9-16(23)22-20-10-14-13-3-1-2-4-15(13)21-17(14)19/h1-8,10,21H,9H2,(H,22,23)/b20-10-.
What are the key properties of 2-(4-bromophenyl)-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]acetamide?
2-(4-bromophenyl)-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]acetamide has a molecular weight of 390.67 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 136764634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).