3-bromo-5-chloro-2-(difluoromethoxy)-N-heptan-3-ylaniline

C14H19BrClF2NO — CID 63947321

IUPAC3-bromo-5-chloro-2-(difluoromethoxy)-N-heptan-3-ylaniline
SMILESCCCCC(CC)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C14H19BrClF2NO/c1-3-5-6-10(4-2)19-12-8-9(16)7-11(15)13(12)20-14(17)18/h7-8,10,14,19H,3-6H2,1-2H3
InChIKeyKGYSLFZYHZGUDS-UHFFFAOYSA-N
MW370.67 g/mol
LogP6.08
Rot. Bonds8

About 3-bromo-5-chloro-2-(difluoromethoxy)-N-heptan-3-ylaniline

3-bromo-5-chloro-2-(difluoromethoxy)-N-heptan-3-ylaniline (PubChem CID 63947321) has the molecular formula C14H19BrClF2NO and a molecular weight of 370.67 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-(difluoromethoxy)-N-heptan-3-ylaniline.

Molecular Properties

Compound Name3-bromo-5-chloro-2-(difluoromethoxy)-N-heptan-3-ylaniline
PubChem CID63947321
Molecular FormulaC14H19BrClF2NO
Molecular Weight370.67 g/mol
Exact Mass369.03
IUPAC Name3-bromo-5-chloro-2-(difluoromethoxy)-N-heptan-3-ylaniline
SMILESCCCCC(CC)Nc1cc(Cl)cc(Br)c1OC(F)F
InChIInChI=1S/C14H19BrClF2NO/c1-3-5-6-10(4-2)19-12-8-9(16)7-11(15)13(12)20-14(17)18/h7-8,10,14,19H,3-6H2,1-2H3
InChIKeyKGYSLFZYHZGUDS-UHFFFAOYSA-N
XLogP6.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.67
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline
CID 63432835
3-bromo-5-chloro-2-(difluoromethoxy)-N-(2-methylpentan-3-yl)aniline
CID 43782728
3-bromo-5-chloro-2-(difluoromethoxy)-N-hexylaniline
CID 43691032
3-bromo-5-chloro-2-(difluoromethoxy)-N-(1-thiophen-2-ylethyl)aniline
CID 43691085
3-bromo-5-chloro-2-ethoxy-N-nonan-2-ylaniline
CID 63432230
3-[3-bromo-5-chloro-2-(difluoromethoxy)anilino]-2,2-dimethylpropan-1-ol
CID 81411115
2-bromo-5-chloro-N-undecan-6-ylaniline
CID 81264421
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide
CID 43698111
2-chloro-5-fluoro-N-heptan-3-ylaniline
CID 107527238
3-bromo-5-chloro-2-(difluoromethoxy)-N-(3-methylcyclopentyl)aniline
CID 64501696
2-bromo-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]propanamide
CID 107903695
3-bromo-5-chloro-2-(difluoromethoxy)-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 62357422

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-(difluoromethoxy)-N-heptan-3-ylaniline?
The IUPAC name of 3-bromo-5-chloro-2-(difluoromethoxy)-N-heptan-3-ylaniline (CID 63947321) is 3-bromo-5-chloro-2-(difluoromethoxy)-N-heptan-3-ylaniline.
What is the SMILES notation for 3-bromo-5-chloro-2-(difluoromethoxy)-N-heptan-3-ylaniline?
The canonical SMILES for 3-bromo-5-chloro-2-(difluoromethoxy)-N-heptan-3-ylaniline is CCCCC(CC)Nc1cc(Cl)cc(Br)c1OC(F)F.
What is the InChIKey of 3-bromo-5-chloro-2-(difluoromethoxy)-N-heptan-3-ylaniline?
The InChIKey is KGYSLFZYHZGUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClF2NO/c1-3-5-6-10(4-2)19-12-8-9(16)7-11(15)13(12)20-14(17)18/h7-8,10,14,19H,3-6H2,1-2H3.
What are the key properties of 3-bromo-5-chloro-2-(difluoromethoxy)-N-heptan-3-ylaniline?
3-bromo-5-chloro-2-(difluoromethoxy)-N-heptan-3-ylaniline has a molecular weight of 370.67 g/mol, XLogP of 6.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-(difluoromethoxy)-N-heptan-3-ylaniline is sourced from PubChem (CID 63947321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).