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

C14H11BrF2N2O2 — CID 61033191

IUPACN-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(N)c(F)cc2F)cc1Br
InChIInChI=1S/C14H11BrF2N2O2/c1-21-13-3-2-7(4-8(13)15)14(20)19-12-6-11(18)9(16)5-10(12)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyKXPBSPAQKQRIFP-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.57
Rot. Bonds3

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

N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide (PubChem CID 61033191) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide
PubChem CID61033191
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC NameN-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(N)c(F)cc2F)cc1Br
InChIInChI=1S/C14H11BrF2N2O2/c1-21-13-3-2-7(4-8(13)15)14(20)19-12-6-11(18)9(16)5-10(12)17/h2-6H,18H2,1H3,(H,19,20)
InChIKeyKXPBSPAQKQRIFP-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'}

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Related Compounds

4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide
CID 62680442
N-(4-amino-2,5-dichlorophenyl)-3-bromo-4-methoxybenzamide
CID 50881968
3-bromo-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 79765984
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62814066
3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide
CID 81027184
3-amino-N-(5-chloro-2-fluorophenyl)-4-methoxybenzamide
CID 43438163
4-bromo-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzamide
CID 63997805
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
CID 3325521
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
3-amino-N-(2-fluorophenyl)-4-methoxybenzamide
CID 16789472

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide?
The IUPAC name of N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide (CID 61033191) is N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide.
What is the SMILES notation for N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide?
The canonical SMILES for N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(N)c(F)cc2F)cc1Br.
What is the InChIKey of N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide?
The InChIKey is KXPBSPAQKQRIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c1-21-13-3-2-7(4-8(13)15)14(20)19-12-6-11(18)9(16)5-10(12)17/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide?
N-(5-amino-2,4-difluorophenyl)-3-bromo-4-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 N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide is sourced from PubChem (CID 61033191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).