2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide

C14H19BrClFN2O — CID 107611279

IUPAC2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C14H19BrClFN2O/c1-4-10(5-2)19-14(20)8(3)18-13-11(15)6-9(17)7-12(13)16/h6-8,10,18H,4-5H2,1-3H3,(H,19,20)
InChIKeyRRFUPAAFLCNSQI-UHFFFAOYSA-N
MW365.67 g/mol
LogP4.35
Rot. Bonds6

About 2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide

2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide (PubChem CID 107611279) has the molecular formula C14H19BrClFN2O and a molecular weight of 365.67 g/mol. Its IUPAC name is 2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide
PubChem CID107611279
Molecular FormulaC14H19BrClFN2O
Molecular Weight365.67 g/mol
Exact Mass364.04
IUPAC Name2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C14H19BrClFN2O/c1-4-10(5-2)19-14(20)8(3)18-13-11(15)6-9(17)7-12(13)16/h6-8,10,18H,4-5H2,1-3H3,(H,19,20)
InChIKeyRRFUPAAFLCNSQI-UHFFFAOYSA-N
XLogP4.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.67
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide
CID 43126659
2-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611552
2-(2-bromo-6-chloro-4-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 107611396
N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644238
2-(2-bromo-4,6-difluoroanilino)-N-propan-2-ylpropanamide
CID 43347728
2-bromo-6-chloro-N-(2,6-dimethylheptan-4-yl)-4-fluoroaniline
CID 107610149
2-(2,6-dichloro-4-fluoroanilino)-N-(ethylcarbamoyl)propanamide
CID 83079489
2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide
CID 43113582
2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline
CID 107610495
2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide
CID 43113769
(2R)-2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-4-methylpentanamide
CID 107611929
2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 107614486

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide (CID 107611279) is 2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide?
The InChIKey is RRFUPAAFLCNSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClFN2O/c1-4-10(5-2)19-14(20)8(3)18-13-11(15)6-9(17)7-12(13)16/h6-8,10,18H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide?
2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide has a molecular weight of 365.67 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 107611279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).