(2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide

C16H16BrN3O2 — CID 136705939

IUPAC(2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
SMILESC[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C\c1ccccc1O
InChIInChI=1S/C16H16BrN3O2/c1-11(19-14-8-6-13(17)7-9-14)16(22)20-18-10-12-4-2-3-5-15(12)21/h2-11,19,21H,1H3,(H,20,22)/b18-10-/t11-/m1/s1
InChIKeyJPCVXYAPWTZNLO-IPHDDYSGSA-N
MW362.23 g/mol
LogP3.11
Rot. Bonds5

About (2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide

(2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide (PubChem CID 136705939) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is (2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
PubChem CID136705939
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name(2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
SMILESC[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C\c1ccccc1O
InChIInChI=1S/C16H16BrN3O2/c1-11(19-14-8-6-13(17)7-9-14)16(22)20-18-10-12-4-2-3-5-15(12)21/h2-11,19,21H,1H3,(H,20,22)/b18-10-/t11-/m1/s1
InChIKeyJPCVXYAPWTZNLO-IPHDDYSGSA-N
XLogP3.11
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135782013
2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135821532
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135782070
(2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 136705937
(2S)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)propanamide
CID 136720614
(2S)-2-(4-bromoanilino)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 137207087
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)propanamide
CID 135957637
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135688184
2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 71960153
2-(4-bromoanilino)-N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]propanamide
CID 3901836
(2S)-N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyanilino)propanamide
CID 6874182
(2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
CID 40516210

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide?
The IUPAC name of (2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide (CID 136705939) is (2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide.
What is the SMILES notation for (2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide?
The canonical SMILES for (2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide is C[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C\c1ccccc1O.
What is the InChIKey of (2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide?
The InChIKey is JPCVXYAPWTZNLO-IPHDDYSGSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-11(19-14-8-6-13(17)7-9-14)16(22)20-18-10-12-4-2-3-5-15(12)21/h2-11,19,21H,1H3,(H,20,22)/b18-10-/t11-/m1/s1.
What are the key properties of (2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide?
(2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide has a molecular weight of 362.23 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromoanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]propanamide is sourced from PubChem (CID 136705939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).