2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide

C14H20BrClN2O — CID 107619927

IUPAC2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H20BrClN2O/c1-9(2)6-7-17-14(19)10(3)18-11-4-5-12(15)13(16)8-11/h4-5,8-10,18H,6-7H2,1-3H3,(H,17,19)
InChIKeyZHSZKLORCGOMEP-UHFFFAOYSA-N
MW347.68 g/mol
LogP4.07
Rot. Bonds6

About 2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide

2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide (PubChem CID 107619927) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is 2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide
PubChem CID107619927
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC Name2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H20BrClN2O/c1-9(2)6-7-17-14(19)10(3)18-11-4-5-12(15)13(16)8-11/h4-5,8-10,18H,6-7H2,1-3H3,(H,17,19)
InChIKeyZHSZKLORCGOMEP-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3-chloroanilino)-N-ethylpropanamide
CID 107620078
2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 82868278
N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide
CID 43420253
2-(4-iodoanilino)-N-(3-methylbutyl)propanamide
CID 43112998
2-(3-chloro-4-methylanilino)-N-propylpropanamide
CID 43086867
2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 104937932
2-(1,3-benzodioxol-5-ylamino)-N-(3-methylbutyl)propanamide
CID 43112699
4-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112977
N-butyl-2-(3-chloro-4-methylanilino)propanamide
CID 43112915
2-(3-ethylanilino)-N-(3-methylbutyl)propanamide
CID 43113209
2-(4-bromo-3-fluoroanilino)-N-propylpropanamide
CID 65437335
4-[3-(4-bromo-3-chloroanilino)butyl]phenol
CID 107618811

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide (CID 107619927) is 2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is ZHSZKLORCGOMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O/c1-9(2)6-7-17-14(19)10(3)18-11-4-5-12(15)13(16)8-11/h4-5,8-10,18H,6-7H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide?
2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide has a molecular weight of 347.68 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 107619927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).