4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline

C14H14BrCl2NO — CID 107787692

IUPAC4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline
SMILESCC(CCc1ccco1)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C14H14BrCl2NO/c1-9(4-5-10-3-2-8-19-10)18-12-7-6-11(15)13(16)14(12)17/h2-3,6-9,18H,4-5H2,1H3
InChIKeyHTZYSACUOMMJKP-UHFFFAOYSA-N
MW363.08 g/mol
LogP5.78
Rot. Bonds5

About 4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline

4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline (PubChem CID 107787692) has the molecular formula C14H14BrCl2NO and a molecular weight of 363.08 g/mol. Its IUPAC name is 4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline.

Molecular Properties

Compound Name4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline
PubChem CID107787692
Molecular FormulaC14H14BrCl2NO
Molecular Weight363.08 g/mol
Exact Mass360.96
IUPAC Name4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline
SMILESCC(CCc1ccco1)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C14H14BrCl2NO/c1-9(4-5-10-3-2-8-19-10)18-12-7-6-11(15)13(16)14(12)17/h2-3,6-9,18H,4-5H2,1H3
InChIKeyHTZYSACUOMMJKP-UHFFFAOYSA-N
XLogP5.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.08
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline
CID 107609511
3-bromo-4-[4-(furan-2-yl)butan-2-ylamino]benzenecarbothioamide
CID 82804835
5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one
CID 78913335
2-bromo-3-fluoro-4-[4-(furan-2-yl)butan-2-ylamino]benzoic acid
CID 107540073
[2-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43743342
2-bromo-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-5-nitroaniline
CID 104815065
4-bromo-2,3-dichloro-N-octan-2-ylaniline
CID 107787672
4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one
CID 9340704
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine
CID 54968206
4-(4-bromo-2,3-dichloroanilino)pentanoic acid
CID 114001638
4-chloro-2-(4-chlorophenyl)-5-[[(2R)-4-(furan-2-yl)butan-2-yl]amino]pyridazin-3-one
CID 97019777

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline?
The IUPAC name of 4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline (CID 107787692) is 4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline.
What is the SMILES notation for 4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline?
The canonical SMILES for 4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline is CC(CCc1ccco1)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline?
The InChIKey is HTZYSACUOMMJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2NO/c1-9(4-5-10-3-2-8-19-10)18-12-7-6-11(15)13(16)14(12)17/h2-3,6-9,18H,4-5H2,1H3.
What are the key properties of 4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline?
4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline has a molecular weight of 363.08 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline is sourced from PubChem (CID 107787692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).