2,4-dibromo-N-propan-2-yl-N-propylbenzamide

C13H17Br2NO — CID 107951573

IUPAC2,4-dibromo-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(Br)cc1Br)C(C)C
InChIInChI=1S/C13H17Br2NO/c1-4-7-16(9(2)3)13(17)11-6-5-10(14)8-12(11)15/h5-6,8-9H,4,7H2,1-3H3
InChIKeyIWYXEFALZUHIHX-UHFFFAOYSA-N
MW363.09 g/mol
LogP4.47
Rot. Bonds4

About 2,4-dibromo-N-propan-2-yl-N-propylbenzamide

2,4-dibromo-N-propan-2-yl-N-propylbenzamide (PubChem CID 107951573) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is 2,4-dibromo-N-propan-2-yl-N-propylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-propan-2-yl-N-propylbenzamide
PubChem CID107951573
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name2,4-dibromo-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(Br)cc1Br)C(C)C
InChIInChI=1S/C13H17Br2NO/c1-4-7-16(9(2)3)13(17)11-6-5-10(14)8-12(11)15/h5-6,8-9H,4,7H2,1-3H3
InChIKeyIWYXEFALZUHIHX-UHFFFAOYSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107951577
2-[butan-2-yl-(2,4-dibromobenzoyl)amino]acetic acid
CID 107937793
2,4-dibromo-N-(2-chloroethyl)-N-pentan-3-ylbenzamide
CID 114018643
2,4-dibromo-N-butan-2-yl-N-methylbenzamide
CID 103883121
2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide
CID 65388515
2,4-dibromo-N,N-bis(2-methylpropyl)benzamide
CID 107951816
2,4-dibromo-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 114019946
2-bromo-N-(3-bromopropyl)-4-chloro-N-propan-2-ylbenzamide
CID 114025198
4-bromo-N-(3-bromopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 80661501
2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 103885272
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzamide
CID 103882827
2,4-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 103882596

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-propan-2-yl-N-propylbenzamide?
The IUPAC name of 2,4-dibromo-N-propan-2-yl-N-propylbenzamide (CID 107951573) is 2,4-dibromo-N-propan-2-yl-N-propylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-propan-2-yl-N-propylbenzamide?
The canonical SMILES for 2,4-dibromo-N-propan-2-yl-N-propylbenzamide is CCCN(C(=O)c1ccc(Br)cc1Br)C(C)C.
What is the InChIKey of 2,4-dibromo-N-propan-2-yl-N-propylbenzamide?
The InChIKey is IWYXEFALZUHIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-4-7-16(9(2)3)13(17)11-6-5-10(14)8-12(11)15/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 2,4-dibromo-N-propan-2-yl-N-propylbenzamide?
2,4-dibromo-N-propan-2-yl-N-propylbenzamide has a molecular weight of 363.09 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-propan-2-yl-N-propylbenzamide is sourced from PubChem (CID 107951573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).