2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide

C27H23BrN2O — CID 171145744

IUPAC2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide
SMILESCCC(=NNC(=O)Cc1ccc(Br)c2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H23BrN2O/c1-2-26(21-14-12-20(13-15-21)19-8-4-3-5-9-19)29-30-27(31)18-22-16-17-25(28)24-11-7-6-10-23(22)24/h3-17H,2,18H2,1H3,(H,30,31)
InChIKeyZRZNSCUKAHKQES-UHFFFAOYSA-N
MW471.40 g/mol
LogP6.74
Rot. Bonds6

About 2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide

2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide (PubChem CID 171145744) has the molecular formula C27H23BrN2O and a molecular weight of 471.40 g/mol. Its IUPAC name is 2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide
PubChem CID171145744
Molecular FormulaC27H23BrN2O
Molecular Weight471.40 g/mol
Exact Mass470.10
IUPAC Name2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide
SMILESCCC(=NNC(=O)Cc1ccc(Br)c2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H23BrN2O/c1-2-26(21-14-12-20(13-15-21)19-8-4-3-5-9-19)29-30-27(31)18-22-16-17-25(28)24-11-7-6-10-23(22)24/h3-17H,2,18H2,1H3,(H,30,31)
InChIKeyZRZNSCUKAHKQES-UHFFFAOYSA-N
XLogP6.74
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.40
LogP ≤ 56.74
H-Bond Donors ≤ 51
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-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 4153333
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 135588935
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 5141586
2-(4-fluorophenyl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 7428677
2-(4-chlorophenyl)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6390102
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
2-(4-bromonaphthalen-1-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135479555
2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide
CID 4035780
2-(4-bromonaphthalen-1-yl)-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 136720663
N-(heptan-4-ylideneamino)-4-phenylbenzamide
CID 5067120
2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 3635531

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide?
The IUPAC name of 2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide (CID 171145744) is 2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide?
The canonical SMILES for 2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide is CCC(=NNC(=O)Cc1ccc(Br)c2ccccc12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide?
The InChIKey is ZRZNSCUKAHKQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BrN2O/c1-2-26(21-14-12-20(13-15-21)19-8-4-3-5-9-19)29-30-27(31)18-22-16-17-25(28)24-11-7-6-10-23(22)24/h3-17H,2,18H2,1H3,(H,30,31).
What are the key properties of 2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide?
2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide has a molecular weight of 471.40 g/mol, XLogP of 6.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromonaphthalen-1-yl)-N-[1-(4-phenylphenyl)propylideneamino]acetamide is sourced from PubChem (CID 171145744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).