2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline

C16H14BrF2N — CID 43772571

IUPAC2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
SMILESFc1ccc(C(Nc2ccc(F)cc2Br)C2CC2)cc1
InChIInChI=1S/C16H14BrF2N/c17-14-9-13(19)7-8-15(14)20-16(10-1-2-10)11-3-5-12(18)6-4-11/h3-10,16,20H,1-2H2
InChIKeyBWOZXVUCWDSQOY-UHFFFAOYSA-N
MW338.20 g/mol
LogP5.29
Rot. Bonds4

About 2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline

2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline (PubChem CID 43772571) has the molecular formula C16H14BrF2N and a molecular weight of 338.20 g/mol. Its IUPAC name is 2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
PubChem CID43772571
Molecular FormulaC16H14BrF2N
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
SMILESFc1ccc(C(Nc2ccc(F)cc2Br)C2CC2)cc1
InChIInChI=1S/C16H14BrF2N/c17-14-9-13(19)7-8-15(14)20-16(10-1-2-10)11-3-5-12(18)6-4-11/h3-10,16,20H,1-2H2
InChIKeyBWOZXVUCWDSQOY-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.20
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43774044
4-bromo-2,3-dichloro-N-[cyclopropyl-(4-fluorophenyl)methyl]aniline
CID 107787702
N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline
CID 43764890
2-bromo-N-[cyclopropyl(phenyl)methyl]-5-fluoroaniline
CID 107633312
2-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylaniline
CID 43757682
4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline
CID 81287071
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43763011
4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline
CID 63449370
2,4-dibromo-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 43780879
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
CID 61015900
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoro-2-methoxyaniline
CID 63453951
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline
CID 107630861

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline?
The IUPAC name of 2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline (CID 43772571) is 2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline?
The canonical SMILES for 2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline is Fc1ccc(C(Nc2ccc(F)cc2Br)C2CC2)cc1.
What is the InChIKey of 2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline?
The InChIKey is BWOZXVUCWDSQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2N/c17-14-9-13(19)7-8-15(14)20-16(10-1-2-10)11-3-5-12(18)6-4-11/h3-10,16,20H,1-2H2.
What are the key properties of 2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline?
2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline has a molecular weight of 338.20 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline is sourced from PubChem (CID 43772571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).