2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide

C14H20BrClN2O — CID 103478871

IUPAC2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Nc1cccc(Cl)c1Br
InChIInChI=1S/C14H20BrClN2O/c1-4-6-9(2)17-14(19)10(3)18-12-8-5-7-11(16)13(12)15/h5,7-10,18H,4,6H2,1-3H3,(H,17,19)
InChIKeyCHGYMKAEJGSHDY-UHFFFAOYSA-N
MW347.68 g/mol
LogP4.21
Rot. Bonds6

About 2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide

2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide (PubChem CID 103478871) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is 2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide
PubChem CID103478871
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)Nc1cccc(Cl)c1Br
InChIInChI=1S/C14H20BrClN2O/c1-4-6-9(2)17-14(19)10(3)18-12-8-5-7-11(16)13(12)15/h5,7-10,18H,4,6H2,1-3H3,(H,17,19)
InChIKeyCHGYMKAEJGSHDY-UHFFFAOYSA-N
XLogP4.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-3-chloroanilino)-N-(ethylcarbamoyl)propanamide
CID 103478867
2-(2-fluoroanilino)-N-pentan-2-ylpropanamide
CID 43113411
2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide
CID 103479110
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 103479185
2-(2-bromo-3-chloroanilino)hexanoic acid
CID 103480450
2-bromo-3-chloro-N-propan-2-ylaniline
CID 103478632
N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
2-(5-bromo-2-cyanoanilino)-N-pentan-2-ylpropanamide
CID 107798096
2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43348095
3-(2-bromo-3-chloroanilino)butanenitrile
CID 103478968
3-(2,6-dichlorophenyl)-N-pentan-2-ylpropanamide
CID 133225006
3-(2-bromo-3-chloroanilino)-N'-hydroxybutanimidamide
CID 103480356

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide (CID 103478871) is 2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)Nc1cccc(Cl)c1Br.
What is the InChIKey of 2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide?
The InChIKey is CHGYMKAEJGSHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O/c1-4-6-9(2)17-14(19)10(3)18-12-8-5-7-11(16)13(12)15/h5,7-10,18H,4,6H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide?
2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide has a molecular weight of 347.68 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 103478871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).