N-(3-amino-4-fluorophenyl)-4-bromobenzamide

C13H10BrFN2O — CID 16777540

IUPACN-(3-amino-4-fluorophenyl)-4-bromobenzamide
SMILESNc1cc(NC(=O)c2ccc(Br)cc2)ccc1F
InChIInChI=1S/C13H10BrFN2O/c14-9-3-1-8(2-4-9)13(18)17-10-5-6-11(15)12(16)7-10/h1-7H,16H2,(H,17,18)
InChIKeyRPTIABGQEPXCKX-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.42
Rot. Bonds2

About N-(3-amino-4-fluorophenyl)-4-bromobenzamide

N-(3-amino-4-fluorophenyl)-4-bromobenzamide (PubChem CID 16777540) has the molecular formula C13H10BrFN2O and a molecular weight of 309.14 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-4-bromobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-4-bromobenzamide
PubChem CID16777540
Molecular FormulaC13H10BrFN2O
Molecular Weight309.14 g/mol
Exact Mass308.00
IUPAC NameN-(3-amino-4-fluorophenyl)-4-bromobenzamide
SMILESNc1cc(NC(=O)c2ccc(Br)cc2)ccc1F
InChIInChI=1S/C13H10BrFN2O/c14-9-3-1-8(2-4-9)13(18)17-10-5-6-11(15)12(16)7-10/h1-7H,16H2,(H,17,18)
InChIKeyRPTIABGQEPXCKX-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)-4-nitrobenzamide
CID 63257606
3-amino-N-(4-bromo-3-methylphenyl)-4-fluorobenzamide
CID 43436950
N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide
CID 16771044
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
N-(3-amino-4-fluorophenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689995
3-amino-4-bromo-N-(3,4-difluorophenyl)benzamide
CID 61090796
N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107672026
3-amino-N-(4-tert-butylphenyl)-4-fluorobenzamide
CID 39387577
N-(3-amino-4-fluorophenyl)-4-chloro-3-methylbenzamide
CID 115736624
N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide
CID 16777839
(3-amino-4-fluorophenyl)urea
CID 16776521
3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
CID 107786862

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-4-bromobenzamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-4-bromobenzamide (CID 16777540) is N-(3-amino-4-fluorophenyl)-4-bromobenzamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-4-bromobenzamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-4-bromobenzamide is Nc1cc(NC(=O)c2ccc(Br)cc2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-4-bromobenzamide?
The InChIKey is RPTIABGQEPXCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFN2O/c14-9-3-1-8(2-4-9)13(18)17-10-5-6-11(15)12(16)7-10/h1-7H,16H2,(H,17,18).
What are the key properties of N-(3-amino-4-fluorophenyl)-4-bromobenzamide?
N-(3-amino-4-fluorophenyl)-4-bromobenzamide has a molecular weight of 309.14 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-4-bromobenzamide is sourced from PubChem (CID 16777540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).