(2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide

C15H14BrClN2O3 — CID 5436558

IUPAC(2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C\c1ccc(Br)o1
InChIInChI=1S/C15H14BrClN2O3/c1-9-7-11(17)3-5-13(9)21-10(2)15(20)19-18-8-12-4-6-14(16)22-12/h3-8,10H,1-2H3,(H,19,20)/b18-8-/t10-/m0/s1
InChIKeyRSYAWOFWHQVIKL-JYUGDQOLSA-N
MW385.65 g/mol
LogP3.92
Rot. Bonds5

About (2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide

(2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide (PubChem CID 5436558) has the molecular formula C15H14BrClN2O3 and a molecular weight of 385.65 g/mol. Its IUPAC name is (2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
PubChem CID5436558
Molecular FormulaC15H14BrClN2O3
Molecular Weight385.65 g/mol
Exact Mass383.99
IUPAC Name(2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C\c1ccc(Br)o1
InChIInChI=1S/C15H14BrClN2O3/c1-9-7-11(17)3-5-13(9)21-10(2)15(20)19-18-8-12-4-6-14(16)22-12/h3-8,10H,1-2H3,(H,19,20)/b18-8-/t10-/m0/s1
InChIKeyRSYAWOFWHQVIKL-JYUGDQOLSA-N
XLogP3.92
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.65
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]propanamide
CID 7036505
(2S)-2-(4-chloro-2-methylphenoxy)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 136757836
2-(4-chloro-2-methylphenoxy)-N-(heptylideneamino)propanamide
CID 4233087
2-(2,4-dichlorophenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]propanamide
CID 3311079
2-(4-chloro-2-methylphenoxy)-N-(3-methylbutan-2-ylideneamino)propanamide
CID 4165286
(2S)-2-(4-chloro-2-methylphenoxy)-N-[[4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methylideneamino]propanamide
CID 129448300
N-[1-[(2Z)-2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 6377948
2-(4-chloro-2-methylphenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135606908
2-(2-bromophenoxy)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2852290
N-[1-(4-bromophenyl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 3534165
(2S)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylpentanamide
CID 126019958
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide
CID 126007261

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide (CID 5436558) is (2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide is Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C\c1ccc(Br)o1.
What is the InChIKey of (2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide?
The InChIKey is RSYAWOFWHQVIKL-JYUGDQOLSA-N. The full InChI is InChI=1S/C15H14BrClN2O3/c1-9-7-11(17)3-5-13(9)21-10(2)15(20)19-18-8-12-4-6-14(16)22-12/h3-8,10H,1-2H3,(H,19,20)/b18-8-/t10-/m0/s1.
What are the key properties of (2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide?
(2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide has a molecular weight of 385.65 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide is sourced from PubChem (CID 5436558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).