2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline

C17H13BrClNO — CID 81251674

IUPAC2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline
SMILESClc1ccc(NC(c2ccccc2)c2ccco2)c(Br)c1
InChIInChI=1S/C17H13BrClNO/c18-14-11-13(19)8-9-15(14)20-17(16-7-4-10-21-16)12-5-2-1-3-6-12/h1-11,17,20H
InChIKeyOGWFRVGLJBRYHP-UHFFFAOYSA-N
MW362.65 g/mol
LogP5.90
Rot. Bonds4

About 2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline

2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline (PubChem CID 81251674) has the molecular formula C17H13BrClNO and a molecular weight of 362.65 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline
PubChem CID81251674
Molecular FormulaC17H13BrClNO
Molecular Weight362.65 g/mol
Exact Mass360.99
IUPAC Name2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline
SMILESClc1ccc(NC(c2ccccc2)c2ccco2)c(Br)c1
InChIInChI=1S/C17H13BrClNO/c18-14-11-13(19)8-9-15(14)20-17(16-7-4-10-21-16)12-5-2-1-3-6-12/h1-11,17,20H
InChIKeyOGWFRVGLJBRYHP-UHFFFAOYSA-N
XLogP5.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-[furan-2-yl(phenyl)methyl]aniline
CID 43736789
N-[furan-2-yl(phenyl)methyl]-2,4-dimethylaniline
CID 43103663
2-bromo-4-chloro-N-(2,2,2-trifluoro-1-phenylethyl)aniline
CID 81270264
4-fluoro-N-[furan-2-yl(phenyl)methyl]-3-methylaniline
CID 62809842
1-(3-chlorophenyl)-N-[(3-chlorophenyl)-(furan-2-yl)methyl]-1-(furan-2-yl)methanamine;hydrochloride
CID 22761746
2-bromo-4-chloro-N-propan-2-ylaniline
CID 58692387
3-fluoro-N-[furan-2-yl(phenyl)methyl]-4-methylaniline
CID 43108707
2-fluoro-4-[[furan-2-yl(phenyl)methyl]amino]phenol
CID 64793530
3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline
CID 43194263
2-bromo-4-chloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 81264080
3-(2-bromo-4-chloroanilino)-2-phenylpropanenitrile
CID 81270267
N-[furan-2-yl(phenyl)methyl]-2-methoxypyridin-3-amine
CID 43721900

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline?
The IUPAC name of 2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline (CID 81251674) is 2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline.
What is the SMILES notation for 2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline?
The canonical SMILES for 2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline is Clc1ccc(NC(c2ccccc2)c2ccco2)c(Br)c1.
What is the InChIKey of 2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline?
The InChIKey is OGWFRVGLJBRYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClNO/c18-14-11-13(19)8-9-15(14)20-17(16-7-4-10-21-16)12-5-2-1-3-6-12/h1-11,17,20H.
What are the key properties of 2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline?
2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline has a molecular weight of 362.65 g/mol, XLogP of 5.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[furan-2-yl(phenyl)methyl]aniline is sourced from PubChem (CID 81251674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).