2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide

C18H26Br2N2O2 — CID 42908120

IUPAC2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide
SMILESCC(C)C(C)NC(=O)c1cc(Br)c(C(=O)NC(C)C(C)C)cc1Br
InChIInChI=1S/C18H26Br2N2O2/c1-9(2)11(5)21-17(23)13-7-16(20)14(8-15(13)19)18(24)22-12(6)10(3)4/h7-12H,1-6H3,(H,21,23)(H,22,24)
InChIKeyUDXCQNOJQVXREW-UHFFFAOYSA-N
MW462.23 g/mol
LogP4.76
Rot. Bonds6

About 2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide

2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide (PubChem CID 42908120) has the molecular formula C18H26Br2N2O2 and a molecular weight of 462.23 g/mol. Its IUPAC name is 2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide
PubChem CID42908120
Molecular FormulaC18H26Br2N2O2
Molecular Weight462.23 g/mol
Exact Mass460.04
IUPAC Name2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide
SMILESCC(C)C(C)NC(=O)c1cc(Br)c(C(=O)NC(C)C(C)C)cc1Br
InChIInChI=1S/C18H26Br2N2O2/c1-9(2)11(5)21-17(23)13-7-16(20)14(8-15(13)19)18(24)22-12(6)10(3)4/h7-12H,1-6H3,(H,21,23)(H,22,24)
InChIKeyUDXCQNOJQVXREW-UHFFFAOYSA-N
XLogP4.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.23
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92742810
1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide
CID 786717
3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
CID 107980064
2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide
CID 133250246
2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 94665510
2-[(2-bromobenzoyl)amino]-N-(3-methylbutan-2-yl)benzamide
CID 78791630
4-bromo-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40522020
2,5-dichloro-N-(3-methylbutan-2-yl)thiophene-3-carboxamide
CID 17409200
2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
CID 43084907
2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide
CID 18712127
2,4-dibromo-N-(1,1-dimethoxypropan-2-yl)benzamide
CID 107939092
5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide
CID 62816658

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide (CID 42908120) is 2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide is CC(C)C(C)NC(=O)c1cc(Br)c(C(=O)NC(C)C(C)C)cc1Br.
What is the InChIKey of 2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide?
The InChIKey is UDXCQNOJQVXREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Br2N2O2/c1-9(2)11(5)21-17(23)13-7-16(20)14(8-15(13)19)18(24)22-12(6)10(3)4/h7-12H,1-6H3,(H,21,23)(H,22,24).
What are the key properties of 2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide?
2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide has a molecular weight of 462.23 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 42908120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).