2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide

C16H16Br2N2O — CID 103885272

IUPAC2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H16Br2N2O/c1-11(2)20(10-12-4-3-7-19-9-12)16(21)14-6-5-13(17)8-15(14)18/h3-9,11H,10H2,1-2H3
InChIKeyNAHDBJVRMZEQKX-UHFFFAOYSA-N
MW412.13 g/mol
LogP4.66
Rot. Bonds4

About 2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide

2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 103885272) has the molecular formula C16H16Br2N2O and a molecular weight of 412.13 g/mol. Its IUPAC name is 2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID103885272
Molecular FormulaC16H16Br2N2O
Molecular Weight412.13 g/mol
Exact Mass409.96
IUPAC Name2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H16Br2N2O/c1-11(2)20(10-12-4-3-7-19-9-12)16(21)14-6-5-13(17)8-15(14)18/h3-9,11H,10H2,1-2H3
InChIKeyNAHDBJVRMZEQKX-UHFFFAOYSA-N
XLogP4.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.13
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61114903
2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 114917912
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
2,4-dibromo-N-propan-2-yl-N-propylbenzamide
CID 107951573
3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55820021
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43401146
3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60556699
2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 60556723
5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 81316551
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60557001

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide (CID 103885272) is 2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide is CC(C)N(Cc1cccnc1)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is NAHDBJVRMZEQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O/c1-11(2)20(10-12-4-3-7-19-9-12)16(21)14-6-5-13(17)8-15(14)18/h3-9,11H,10H2,1-2H3.
What are the key properties of 2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 412.13 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 103885272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).