5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline

C16H14BrClFN — CID 43777577

IUPAC5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline
SMILESFc1ccc(Br)cc1NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H14BrClFN/c17-12-5-8-14(19)15(9-12)20-16(10-1-2-10)11-3-6-13(18)7-4-11/h3-10,16,20H,1-2H2
InChIKeyUEPZRBTYTPEQKM-UHFFFAOYSA-N
MW354.65 g/mol
LogP5.80
Rot. Bonds4

About 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline

5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline (PubChem CID 43777577) has the molecular formula C16H14BrClFN and a molecular weight of 354.65 g/mol. Its IUPAC name is 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline
PubChem CID43777577
Molecular FormulaC16H14BrClFN
Molecular Weight354.65 g/mol
Exact Mass353.00
IUPAC Name5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline
SMILESFc1ccc(Br)cc1NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C16H14BrClFN/c17-12-5-8-14(19)15(9-12)20-16(10-1-2-10)11-3-6-13(18)7-4-11/h3-10,16,20H,1-2H2
InChIKeyUEPZRBTYTPEQKM-UHFFFAOYSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.65
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methoxyaniline
CID 63454650
5-bromo-N-(dicyclopropylmethyl)-2-fluoroaniline
CID 43555384
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-difluoro-4-methylaniline
CID 103584657
4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoroaniline
CID 43759747
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
CID 60658432
N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 43772771
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline
CID 43764120
4-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 55197692
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline
CID 43772410
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoro-2-methoxyaniline
CID 63453951
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline
CID 43773132
4-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-2,5-difluoroaniline
CID 107609519

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline?
The IUPAC name of 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline (CID 43777577) is 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline.
What is the SMILES notation for 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline?
The canonical SMILES for 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline is Fc1ccc(Br)cc1NC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline?
The InChIKey is UEPZRBTYTPEQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClFN/c17-12-5-8-14(19)15(9-12)20-16(10-1-2-10)11-3-6-13(18)7-4-11/h3-10,16,20H,1-2H2.
What are the key properties of 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline?
5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline has a molecular weight of 354.65 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline is sourced from PubChem (CID 43777577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).