4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide

C14H11BrClFN2O2 — CID 63187979

IUPAC4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H11BrClFN2O2/c1-21-13-9(15)5-8(16)6-12(13)19-14(20)7-2-3-11(18)10(17)4-7/h2-6H,18H2,1H3,(H,19,20)
InChIKeyYYPQRGUTNQIJNP-UHFFFAOYSA-N
MW373.61 g/mol
LogP4.08
Rot. Bonds3

About 4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide

4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide (PubChem CID 63187979) has the molecular formula C14H11BrClFN2O2 and a molecular weight of 373.61 g/mol. Its IUPAC name is 4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide
PubChem CID63187979
Molecular FormulaC14H11BrClFN2O2
Molecular Weight373.61 g/mol
Exact Mass371.97
IUPAC Name4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C14H11BrClFN2O2/c1-21-13-9(15)5-8(16)6-12(13)19-14(20)7-2-3-11(18)10(17)4-7/h2-6H,18H2,1H3,(H,19,20)
InChIKeyYYPQRGUTNQIJNP-UHFFFAOYSA-N
XLogP4.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.08
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

5-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 35206912
3-bromo-N-(3-bromo-5-chloro-2-methoxyphenyl)-5-chlorobenzamide
CID 107951917
4-amino-N-(5-bromo-2-methoxyphenyl)-3-fluorobenzamide
CID 62680442
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
CID 107608717
4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide
CID 82761895
N-(3-bromo-5-chloro-2-ethoxyphenyl)-4-fluorobenzamide
CID 26159493
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
3-amino-N-(5-chloro-2-fluorophenyl)-4-methoxybenzamide
CID 43438163
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methylbenzamide
CID 16771232
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide
CID 16613952
N-(5-amino-2,4-difluorophenyl)-3-bromo-4-methoxybenzamide
CID 61033191
4-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)benzamide
CID 81308166

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide (CID 63187979) is 4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide is COc1c(Br)cc(Cl)cc1NC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide?
The InChIKey is YYPQRGUTNQIJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O2/c1-21-13-9(15)5-8(16)6-12(13)19-14(20)7-2-3-11(18)10(17)4-7/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide?
4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide has a molecular weight of 373.61 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-bromo-5-chloro-2-methoxyphenyl)-3-fluorobenzamide is sourced from PubChem (CID 63187979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).