(4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide

C17H17BrN2O2 — CID 40650959

IUPAC(4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide
SMILESO=C(CC[C@H](O)c1ccccc1)N/N=C\c1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O2/c18-15-8-4-5-13(11-15)12-19-20-17(22)10-9-16(21)14-6-2-1-3-7-14/h1-8,11-12,16,21H,9-10H2,(H,20,22)/b19-12-/t16-/m0/s1
InChIKeyYWMZOUJARXSDPV-JJBLJPBOSA-N
MW361.24 g/mol
LogP3.41
Rot. Bonds6

About (4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide

(4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide (PubChem CID 40650959) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is (4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide.

Molecular Properties

Compound Name(4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide
PubChem CID40650959
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name(4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide
SMILESO=C(CC[C@H](O)c1ccccc1)N/N=C\c1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O2/c18-15-8-4-5-13(11-15)12-19-20-17(22)10-9-16(21)14-6-2-1-3-7-14/h1-8,11-12,16,21H,9-10H2,(H,20,22)/b19-12-/t16-/m0/s1
InChIKeyYWMZOUJARXSDPV-JJBLJPBOSA-N
XLogP3.41
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.41
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[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 6005980
(4R)-4-hydroxy-N-[(Z)-(4-methylphenyl)methylideneamino]-4-phenylbutanamide
CID 96886075
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
(2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 905815
4-anilino-N-[(E)-(3-bromophenyl)methylideneamino]butanamide
CID 5331391
N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
CID 5334797
N'-[(Z)-(3-bromophenyl)methylideneamino]-N-methylhexanediamide
CID 6056765
N-(3-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 5190370
N-(4-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 3309174
N-[(3-bromophenyl)methylideneamino]-2-phenoxyacetamide
CID 4084520
(4S)-N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide
CID 94833771

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide?
The IUPAC name of (4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide (CID 40650959) is (4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide.
What is the SMILES notation for (4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide?
The canonical SMILES for (4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide is O=C(CC[C@H](O)c1ccccc1)N/N=C\c1cccc(Br)c1.
What is the InChIKey of (4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide?
The InChIKey is YWMZOUJARXSDPV-JJBLJPBOSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c18-15-8-4-5-13(11-15)12-19-20-17(22)10-9-16(21)14-6-2-1-3-7-14/h1-8,11-12,16,21H,9-10H2,(H,20,22)/b19-12-/t16-/m0/s1.
What are the key properties of (4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide?
(4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide has a molecular weight of 361.24 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide is sourced from PubChem (CID 40650959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).