N-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide

C30H24BrN3O — CID 3111135

IUPACN-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide
SMILESO=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)NN=Cc1ccc(Br)cc1
InChIInChI=1S/C30H24BrN3O/c31-25-17-15-22(16-18-25)21-32-33-28(35)19-20-34-27-14-8-7-13-26(27)29(23-9-3-1-4-10-23)30(34)24-11-5-2-6-12-24/h1-18,21H,19-20H2,(H,33,35)
InChIKeyQZYWNEAFTBUKIB-UHFFFAOYSA-N
MW522.45 g/mol
LogP7.28
Rot. Bonds7

About N-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide

N-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide (PubChem CID 3111135) has the molecular formula C30H24BrN3O and a molecular weight of 522.45 g/mol. Its IUPAC name is N-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide
PubChem CID3111135
Molecular FormulaC30H24BrN3O
Molecular Weight522.45 g/mol
Exact Mass521.11
IUPAC NameN-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide
SMILESO=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)NN=Cc1ccc(Br)cc1
InChIInChI=1S/C30H24BrN3O/c31-25-17-15-22(16-18-25)21-32-33-28(35)19-20-34-27-14-8-7-13-26(27)29(23-9-3-1-4-10-23)30(34)24-11-5-2-6-12-24/h1-18,21H,19-20H2,(H,33,35)
InChIKeyQZYWNEAFTBUKIB-UHFFFAOYSA-N
XLogP7.28
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.45
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
CID 45023018
3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135683326
3-(2,3-diphenylindol-1-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135704666
3-(2,3-diphenylindol-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide
CID 135613957
3-carbazol-9-yl-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135495779
N,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
CID 3539768
3-(5-methyl-2,3-diphenylindol-1-yl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 46299432
N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10273493
N-[(E)-(4-bromophenyl)methylideneamino]-3-piperidin-1-ylpropanamide
CID 5346912
7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 23749398
N-[(Z)-benzylideneamino]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 5412914
N-(furan-2-ylmethylideneamino)-3-(7-methyl-2,3-diphenylindol-1-yl)propanamide
CID 71952810

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide?
The IUPAC name of N-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide (CID 3111135) is N-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide.
What is the SMILES notation for N-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide?
The canonical SMILES for N-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide is O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)NN=Cc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide?
The InChIKey is QZYWNEAFTBUKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24BrN3O/c31-25-17-15-22(16-18-25)21-32-33-28(35)19-20-34-27-14-8-7-13-26(27)29(23-9-3-1-4-10-23)30(34)24-11-5-2-6-12-24/h1-18,21H,19-20H2,(H,33,35).
What are the key properties of N-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide?
N-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide has a molecular weight of 522.45 g/mol, XLogP of 7.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide is sourced from PubChem (CID 3111135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).