3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide

C14H12BrFN2O — CID 61400953

IUPAC3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide
SMILESNc1cc(C(=O)NCc2cccc(Br)c2)ccc1F
InChIInChI=1S/C14H12BrFN2O/c15-11-3-1-2-9(6-11)8-18-14(19)10-4-5-12(16)13(17)7-10/h1-7H,8,17H2,(H,18,19)
InChIKeyFTQADZGXUGBNMA-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.10
Rot. Bonds3

About 3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide

3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide (PubChem CID 61400953) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is 3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide
PubChem CID61400953
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide
SMILESNc1cc(C(=O)NCc2cccc(Br)c2)ccc1F
InChIInChI=1S/C14H12BrFN2O/c15-11-3-1-2-9(6-11)8-18-14(19)10-4-5-12(16)13(17)7-10/h1-7H,8,17H2,(H,18,19)
InChIKeyFTQADZGXUGBNMA-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.10
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

3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide
CID 61400942
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899
N-[(3-bromophenyl)methyl]-3-fluoro-4-nitrobenzamide
CID 62681826
3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 113244666
3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide
CID 103706738
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 61410155
N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917207
3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 25316330
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
N-[(3-bromophenyl)methyl]-4-propan-2-ylbenzamide
CID 60739701
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide
CID 114326336

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide?
The IUPAC name of 3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide (CID 61400953) is 3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide is Nc1cc(C(=O)NCc2cccc(Br)c2)ccc1F.
What is the InChIKey of 3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide?
The InChIKey is FTQADZGXUGBNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c15-11-3-1-2-9(6-11)8-18-14(19)10-4-5-12(16)13(17)7-10/h1-7H,8,17H2,(H,18,19).
What are the key properties of 3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide?
3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide has a molecular weight of 323.17 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 61400953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).