3,5-dibromo-N-butan-2-yl-N-ethylbenzamide

C13H17Br2NO — CID 107980072

IUPAC3,5-dibromo-N-butan-2-yl-N-ethylbenzamide
SMILESCCC(C)N(CC)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H17Br2NO/c1-4-9(3)16(5-2)13(17)10-6-11(14)8-12(15)7-10/h6-9H,4-5H2,1-3H3
InChIKeySQZMZPYXVBCNNI-UHFFFAOYSA-N
MW363.09 g/mol
LogP4.47
Rot. Bonds4

About 3,5-dibromo-N-butan-2-yl-N-ethylbenzamide

3,5-dibromo-N-butan-2-yl-N-ethylbenzamide (PubChem CID 107980072) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is 3,5-dibromo-N-butan-2-yl-N-ethylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-butan-2-yl-N-ethylbenzamide
PubChem CID107980072
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC Name3,5-dibromo-N-butan-2-yl-N-ethylbenzamide
SMILESCCC(C)N(CC)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C13H17Br2NO/c1-4-9(3)16(5-2)13(17)10-6-11(14)8-12(15)7-10/h6-9H,4-5H2,1-3H3
InChIKeySQZMZPYXVBCNNI-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

3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103908083
N-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide
CID 107703652
3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
CID 104851891
2,4-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107951577
4-bromo-N-butan-2-yl-N-ethyl-2-fluorobenzamide
CID 43274768
3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 103907777
N-(2-amino-2-sulfanylideneethyl)-3,5-dibromo-N-propan-2-ylbenzamide
CID 107972248
3-amino-N-butan-2-yl-5-ethoxy-N-ethylbenzamide
CID 81090424
5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide
CID 62000620
ethyl 2-[(3,5-dibromobenzoyl)-propan-2-ylamino]acetate
CID 103908490
5-bromo-N-butan-2-yl-2-chloro-N-ethyl-3-sulfamoylbenzamide
CID 65386809
N-butan-2-yl-5,6-dichloro-N-ethylpyridine-3-carboxamide
CID 43274566

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-butan-2-yl-N-ethylbenzamide?
The IUPAC name of 3,5-dibromo-N-butan-2-yl-N-ethylbenzamide (CID 107980072) is 3,5-dibromo-N-butan-2-yl-N-ethylbenzamide.
What is the SMILES notation for 3,5-dibromo-N-butan-2-yl-N-ethylbenzamide?
The canonical SMILES for 3,5-dibromo-N-butan-2-yl-N-ethylbenzamide is CCC(C)N(CC)C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-butan-2-yl-N-ethylbenzamide?
The InChIKey is SQZMZPYXVBCNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-4-9(3)16(5-2)13(17)10-6-11(14)8-12(15)7-10/h6-9H,4-5H2,1-3H3.
What are the key properties of 3,5-dibromo-N-butan-2-yl-N-ethylbenzamide?
3,5-dibromo-N-butan-2-yl-N-ethylbenzamide 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 3,5-dibromo-N-butan-2-yl-N-ethylbenzamide is sourced from PubChem (CID 107980072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).