N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide

C16H14BrClN2O2 — CID 4054098

IUPACN-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1
InChIInChI=1S/C16H14BrClN2O2/c1-2-15(21)20-13-5-3-12(4-6-13)19-9-10-7-11(17)8-14(18)16(10)22/h3-9,22H,2H2,1H3,(H,20,21)/b19-9+
InChIKeyLRMKCXIYPNGWLC-DJKKODMXSA-N
MW381.66 g/mol
LogP4.91
Rot. Bonds4

About N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide

N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide (PubChem CID 4054098) has the molecular formula C16H14BrClN2O2 and a molecular weight of 381.66 g/mol. Its IUPAC name is N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
PubChem CID4054098
Molecular FormulaC16H14BrClN2O2
Molecular Weight381.66 g/mol
Exact Mass379.99
IUPAC NameN-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1
InChIInChI=1S/C16H14BrClN2O2/c1-2-15(21)20-13-5-3-12(4-6-13)19-9-10-7-11(17)8-14(18)16(10)22/h3-9,22H,2H2,1H3,(H,20,21)/b19-9+
InChIKeyLRMKCXIYPNGWLC-DJKKODMXSA-N
XLogP4.91
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[3-bromo-5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]phenyl]propanamide
CID 4160765
N-[4-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]phenyl]butanamide
CID 3424638
N-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide
CID 4660053
N-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide
CID 1126479
methyl N-[(E)-(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]carbamate
CID 135613521
N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
CID 3328322
4-bromo-2-chloro-6-[(3-chloro-4-fluorophenyl)iminomethyl]phenol
CID 171980806
N-[4-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]propanamide
CID 3623782
N-(3-chloro-4-methylphenyl)-2-[2,4-dibromo-6-[(4-ethylphenyl)iminomethyl]phenoxy]acetamide
CID 126219743
N-[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]-2-hydroxybenzamide
CID 2725439
N-[4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenyl]propanamide
CID 5098400
N-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]propanamide
CID 835020

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide?
The IUPAC name of N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide (CID 4054098) is N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide?
The canonical SMILES for N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide is CCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1.
What is the InChIKey of N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide?
The InChIKey is LRMKCXIYPNGWLC-DJKKODMXSA-N. The full InChI is InChI=1S/C16H14BrClN2O2/c1-2-15(21)20-13-5-3-12(4-6-13)19-9-10-7-11(17)8-14(18)16(10)22/h3-9,22H,2H2,1H3,(H,20,21)/b19-9+.
What are the key properties of N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide?
N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide has a molecular weight of 381.66 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide is sourced from PubChem (CID 4054098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).