2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide

C14H11BrF2N2O2 — CID 102852353

IUPAC2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(Br)c(F)cc2F)c1N
InChIInChI=1S/C14H11BrF2N2O2/c1-21-12-4-2-3-7(13(12)18)14(20)19-11-5-8(15)9(16)6-10(11)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyYONWCVXJUOQGOE-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.57
Rot. Bonds3

About 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide

2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide (PubChem CID 102852353) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide
PubChem CID102852353
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC Name2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc(Br)c(F)cc2F)c1N
InChIInChI=1S/C14H11BrF2N2O2/c1-21-12-4-2-3-7(13(12)18)14(20)19-11-5-8(15)9(16)6-10(11)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyYONWCVXJUOQGOE-UHFFFAOYSA-N
XLogP3.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-bromo-2-methylphenyl)-3-methoxybenzamide
CID 107623964
N-(5-bromo-4-fluoro-2-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 103278127
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257
N-(4-bromo-2,5-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 103842569
2-[(5-bromo-2,4-difluorophenyl)carbamoyl]benzoic acid
CID 102852549
methyl 2-amino-3-(5-bromo-2,4-difluoroanilino)benzoate
CID 102854793
4-amino-N-(5-bromo-2,4-difluorophenyl)-2-methylbenzamide
CID 102852303
2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide
CID 103410429
3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102852339
2-bromo-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107612432
N-(5-amino-2-methoxyphenyl)-3-bromo-2-fluorobenzamide
CID 107948694
2-amino-N-(2,4-difluorophenyl)-6-methoxybenzamide
CID 81410622

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide?
The IUPAC name of 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide (CID 102852353) is 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide?
The canonical SMILES for 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc(Br)c(F)cc2F)c1N.
What is the InChIKey of 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide?
The InChIKey is YONWCVXJUOQGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c1-21-12-4-2-3-7(13(12)18)14(20)19-11-5-8(15)9(16)6-10(11)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide?
2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide has a molecular weight of 357.15 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-bromo-2,4-difluorophenyl)-3-methoxybenzamide is sourced from PubChem (CID 102852353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).