2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide

C14H19BrCl2N2O — CID 43126659

IUPAC2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H19BrCl2N2O/c1-4-10(5-2)19-14(20)8(3)18-13-11(16)6-9(15)7-12(13)17/h6-8,10,18H,4-5H2,1-3H3,(H,19,20)
InChIKeyFLLYDDBXMDBVQB-UHFFFAOYSA-N
MW382.13 g/mol
LogP4.86
Rot. Bonds6

About 2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide

2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide (PubChem CID 43126659) has the molecular formula C14H19BrCl2N2O and a molecular weight of 382.13 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide
PubChem CID43126659
Molecular FormulaC14H19BrCl2N2O
Molecular Weight382.13 g/mol
Exact Mass380.01
IUPAC Name2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H19BrCl2N2O/c1-4-10(5-2)19-14(20)8(3)18-13-11(16)6-9(15)7-12(13)17/h6-8,10,18H,4-5H2,1-3H3,(H,19,20)
InChIKeyFLLYDDBXMDBVQB-UHFFFAOYSA-N
XLogP4.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.13
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-6-chloro-4-fluoroanilino)-N-pentan-3-ylpropanamide
CID 107611279
2-(4-bromo-2,6-dichloroanilino)-N-tert-butylpropanamide
CID 43126681
2-(3-bromo-5-methylanilino)-N-pentan-3-ylpropanamide
CID 104937935
2-(5-chloro-2-methylanilino)-N-pentan-3-ylpropanamide
CID 43113582
N-pentan-3-yl-2-(2,3,5,6-tetrafluoroanilino)propanamide
CID 107644238
2-(4-bromo-3,5-dimethylanilino)-N-pentan-3-ylpropanamide
CID 107573469
2-(5-bromo-2-cyanoanilino)-N-pentan-3-ylpropanamide
CID 107798095
2-(2,6-dichloroanilino)-N-propan-2-ylpropanamide
CID 65499751
2-[1-(2,4-dichlorophenyl)ethylamino]-N-pentan-3-ylpropanamide
CID 43112445
3-amino-N-(4-bromo-2,6-dichlorophenyl)-2-methylpropanamide
CID 62671003
2-(2,5-difluoroanilino)-N-pentan-3-ylpropanamide
CID 43113769
2-(4-bromo-2,6-dichloroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 55195038

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide (CID 43126659) is 2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide?
The InChIKey is FLLYDDBXMDBVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrCl2N2O/c1-4-10(5-2)19-14(20)8(3)18-13-11(16)6-9(15)7-12(13)17/h6-8,10,18H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide?
2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide has a molecular weight of 382.13 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dichloroanilino)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 43126659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).