N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide

C19H17BrF3N3O2 — CID 126180534

IUPACN-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17BrF3N3O2/c20-15-8-10-16(11-9-15)25-17(27)2-1-3-18(28)26-24-12-13-4-6-14(7-5-13)19(21,22)23/h4-12H,1-3H2,(H,25,27)(H,26,28)/b24-12-
InChIKeyUKQUOPVEEGKQSY-MSXFZWOLSA-N
MW456.26 g/mol
LogP4.73
Rot. Bonds7

About N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide

N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide (PubChem CID 126180534) has the molecular formula C19H17BrF3N3O2 and a molecular weight of 456.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide
PubChem CID126180534
Molecular FormulaC19H17BrF3N3O2
Molecular Weight456.26 g/mol
Exact Mass455.05
IUPAC NameN-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide
SMILESO=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C\c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17BrF3N3O2/c20-15-8-10-16(11-9-15)25-17(27)2-1-3-18(28)26-24-12-13-4-6-14(7-5-13)19(21,22)23/h4-12H,1-3H2,(H,25,27)(H,26,28)/b24-12-
InChIKeyUKQUOPVEEGKQSY-MSXFZWOLSA-N
XLogP4.73
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.26
LogP ≤ 54.73
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,N'-bis[(4-bromophenyl)methylideneamino]heptanediamide
CID 3539768
N'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide
CID 135906534
4-bromo-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 7768186
N-(4-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 3309174
N-(4-bromophenyl)-N'-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pentanediamide
CID 136734104
N'-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-[4-(trifluoromethyl)phenyl]butanediamide
CID 19579638
N-[[4-(trifluoromethyl)phenyl]methylideneamino]propanamide
CID 174961803
7-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-oxoheptanoic acid
CID 23749398
2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7492486
2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 2344438
N'-[(E)-benzylideneamino]-N-phenyloctanediamide
CID 23863272
N-(4-bromophenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 3988560

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide?
The IUPAC name of N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide (CID 126180534) is N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide?
The canonical SMILES for N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide is O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C\c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide?
The InChIKey is UKQUOPVEEGKQSY-MSXFZWOLSA-N. The full InChI is InChI=1S/C19H17BrF3N3O2/c20-15-8-10-16(11-9-15)25-17(27)2-1-3-18(28)26-24-12-13-4-6-14(7-5-13)19(21,22)23/h4-12H,1-3H2,(H,25,27)(H,26,28)/b24-12-.
What are the key properties of N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide?
N-(4-bromophenyl)-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide has a molecular weight of 456.26 g/mol, XLogP of 4.73, 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'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pentanediamide is sourced from PubChem (CID 126180534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).