N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide

C19H20BrN3O2 — CID 3266986

IUPACN-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide
SMILESCCC(=NNC(=O)CCC(=O)Nc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H20BrN3O2/c1-2-17(14-6-4-3-5-7-14)22-23-19(25)13-12-18(24)21-16-10-8-15(20)9-11-16/h3-11H,2,12-13H2,1H3,(H,21,24)(H,23,25)
InChIKeyBILINKGEIFBUSV-UHFFFAOYSA-N
MW402.29 g/mol
LogP4.10
Rot. Bonds7

About N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide

N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide (PubChem CID 3266986) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide
PubChem CID3266986
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC NameN-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide
SMILESCCC(=NNC(=O)CCC(=O)Nc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H20BrN3O2/c1-2-17(14-6-4-3-5-7-14)22-23-19(25)13-12-18(24)21-16-10-8-15(20)9-11-16/h3-11H,2,12-13H2,1H3,(H,21,24)(H,23,25)
InChIKeyBILINKGEIFBUSV-UHFFFAOYSA-N
XLogP4.10
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 54.10
H-Bond Donors ≤ 52
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

N-(4-fluorophenyl)-N'-[(E)-1-phenylpropylideneamino]butanediamide
CID 7534633
N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide
CID 135560062
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
3-phenyl-N-(1-phenylpropylideneamino)propanamide
CID 5163167
3-phenyl-N-[(Z)-1-phenylpropylideneamino]propanamide
CID 6288373
N'-[(Z)-butan-2-ylideneamino]-N-phenylbutanediamide
CID 5333667
N-(2,4-dimethylphenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3462359
N-(2-methoxyphenyl)-N'-[(Z)-1-phenylpropylideneamino]butanediamide
CID 6034251
N-[(Z)-(4-anilino-4-oxo-1-phenylbutylidene)amino]-3-bromobenzamide
CID 88848944
N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide
CID 6122698
N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide
CID 9179762

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide?
The IUPAC name of N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide (CID 3266986) is N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide?
The canonical SMILES for N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide is CCC(=NNC(=O)CCC(=O)Nc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide?
The InChIKey is BILINKGEIFBUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c1-2-17(14-6-4-3-5-7-14)22-23-19(25)13-12-18(24)21-16-10-8-15(20)9-11-16/h3-11H,2,12-13H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide?
N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide has a molecular weight of 402.29 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide is sourced from PubChem (CID 3266986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).