N-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide

C15H12BrClFNO2 — CID 146349325

IUPACN-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)Nc1cc(F)cc(Br)c1Cl
InChIInChI=1S/C15H12BrClFNO2/c16-12-6-11(18)7-13(15(12)17)19-14(20)9-21-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20)
InChIKeyUIMBVJDIHQPZGB-UHFFFAOYSA-N
MW372.62 g/mol
LogP4.40
Rot. Bonds5

About N-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide

N-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide (PubChem CID 146349325) has the molecular formula C15H12BrClFNO2 and a molecular weight of 372.62 g/mol. Its IUPAC name is N-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide
PubChem CID146349325
Molecular FormulaC15H12BrClFNO2
Molecular Weight372.62 g/mol
Exact Mass370.97
IUPAC NameN-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)Nc1cc(F)cc(Br)c1Cl
InChIInChI=1S/C15H12BrClFNO2/c16-12-6-11(18)7-13(15(12)17)19-14(20)9-21-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20)
InChIKeyUIMBVJDIHQPZGB-UHFFFAOYSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-3-chloro-2-hydroxyphenyl)-2-phenylmethoxyacetamide
CID 75393896
CID 153403326
CID 153403326
N-(5-amino-2-fluorophenyl)-2-phenylmethoxyacetamide
CID 16785782
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
N-(2-anilinophenyl)-2-phenylmethoxyacetamide
CID 112770108
N-(4-chlorophenyl)-2-[(2-phenylmethoxyacetyl)amino]benzamide
CID 55466370
N-(5-chloro-2-piperidin-1-ylphenyl)-2-phenylmethoxyacetamide
CID 55360085
methyl 3-[(2-phenylmethoxyacetyl)amino]naphthalene-2-carboxylate
CID 55784858
N-(2-chloro-4-hydrazinylpyrimidin-5-yl)-2-phenylmethoxyacetamide
CID 167327397
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxyacetamide
CID 64795067
4-[(2-phenylmethoxyacetyl)amino]benzoic acid
CID 14054017
3-[(2-phenylmethoxyacetyl)amino]benzoic acid
CID 43238383

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide?
The IUPAC name of N-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide (CID 146349325) is N-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide.
What is the SMILES notation for N-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide?
The canonical SMILES for N-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)Nc1cc(F)cc(Br)c1Cl.
What is the InChIKey of N-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide?
The InChIKey is UIMBVJDIHQPZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO2/c16-12-6-11(18)7-13(15(12)17)19-14(20)9-21-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,19,20).
What are the key properties of N-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide?
N-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide has a molecular weight of 372.62 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide is sourced from PubChem (CID 146349325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).