4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline

C13H10BrClFN — CID 65436509

IUPAC4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
SMILESFc1cc(NCc2cccc(Cl)c2)ccc1Br
InChIInChI=1S/C13H10BrClFN/c14-12-5-4-11(7-13(12)16)17-8-9-2-1-3-10(15)6-9/h1-7,17H,8H2
InChIKeyYVDDRYYKQUAAQW-UHFFFAOYSA-N
MW314.59 g/mol
LogP4.85
Rot. Bonds3

About 4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline

4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline (PubChem CID 65436509) has the molecular formula C13H10BrClFN and a molecular weight of 314.59 g/mol. Its IUPAC name is 4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
PubChem CID65436509
Molecular FormulaC13H10BrClFN
Molecular Weight314.59 g/mol
Exact Mass312.97
IUPAC Name4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
SMILESFc1cc(NCc2cccc(Cl)c2)ccc1Br
InChIInChI=1S/C13H10BrClFN/c14-12-5-4-11(7-13(12)16)17-8-9-2-1-3-10(15)6-9/h1-7,17H,8H2
InChIKeyYVDDRYYKQUAAQW-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.59
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[(3-chlorophenyl)methyl]-3-fluoroaniline
CID 43721513
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-chlorophenyl)methanamine
CID 78981330
N-[(4-bromo-3-fluorophenyl)methyl]-4-chloroaniline
CID 81432792
4-bromo-N-[(3-chlorophenyl)methyl]-3-nitroaniline
CID 79768308
4-bromo-3-fluoro-N-(naphthalen-2-ylmethyl)aniline
CID 65437656
4-[(3-chlorophenyl)methylamino]phenol
CID 18778399
N-[5-[(3-chlorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928498
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126211661
N-[(4-bromo-3-fluorophenyl)methyl]-3-[(dimethylamino)methyl]aniline
CID 81437225
4-chloro-N-[[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126189717
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 126183458
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoroaniline
CID 106263519

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline?
The IUPAC name of 4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline (CID 65436509) is 4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline.
What is the SMILES notation for 4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline?
The canonical SMILES for 4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline is Fc1cc(NCc2cccc(Cl)c2)ccc1Br.
What is the InChIKey of 4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline?
The InChIKey is YVDDRYYKQUAAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFN/c14-12-5-4-11(7-13(12)16)17-8-9-2-1-3-10(15)6-9/h1-7,17H,8H2.
What are the key properties of 4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline?
4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline has a molecular weight of 314.59 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-chlorophenyl)methyl]-3-fluoroaniline is sourced from PubChem (CID 65436509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).