(2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide

C15H13BrN2O2 — CID 905815

IUPAC(2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESO=C(NN=Cc1cccc(Br)c1)[C@H](O)c1ccccc1
InChIInChI=1S/C15H13BrN2O2/c16-13-8-4-5-11(9-13)10-17-18-15(20)14(19)12-6-2-1-3-7-12/h1-10,14,19H,(H,18,20)/t14-/m1/s1
InChIKeyPSHNTMVJTLMNKQ-CQSZACIVSA-N
MW333.19 g/mol
LogP2.63
Rot. Bonds4

About (2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide

(2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide (PubChem CID 905815) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is (2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
PubChem CID905815
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name(2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESO=C(NN=Cc1cccc(Br)c1)[C@H](O)c1ccccc1
InChIInChI=1S/C15H13BrN2O2/c16-13-8-4-5-11(9-13)10-17-18-15(20)14(19)12-6-2-1-3-7-12/h1-10,14,19H,(H,18,20)/t14-/m1/s1
InChIKeyPSHNTMVJTLMNKQ-CQSZACIVSA-N
XLogP2.63
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.63
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

(2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 129441465
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 4618895
(4S)-N-[(Z)-(3-bromophenyl)methylideneamino]-4-hydroxy-4-phenylbutanamide
CID 40650959
2-anilino-N-[(3-bromophenyl)methylideneamino]butanamide
CID 5206245
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
(2S)-2-hydroxy-2-phenyl-N-[(Z)-(3-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 126349644
(2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 1034854
N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 6005980
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
(2R)-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 136914839
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2853257
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 135479570

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide (CID 905815) is (2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide is O=C(NN=Cc1cccc(Br)c1)[C@H](O)c1ccccc1.
What is the InChIKey of (2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The InChIKey is PSHNTMVJTLMNKQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-13-8-4-5-11(9-13)10-17-18-15(20)14(19)12-6-2-1-3-7-12/h1-10,14,19H,(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
(2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide has a molecular weight of 333.19 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 905815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).