3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide

C17H21Br2NO — CID 107980320

IUPAC3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
SMILESO=C(c1cc(Br)cc(Br)c1)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C17H21Br2NO/c18-14-8-13(9-15(19)10-14)17(21)20(16-6-7-16)11-12-4-2-1-3-5-12/h8-10,12,16H,1-7,11H2
InChIKeySZFXKJRBBAZVLM-UHFFFAOYSA-N
MW415.17 g/mol
LogP5.40
Rot. Bonds4

About 3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide

3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide (PubChem CID 107980320) has the molecular formula C17H21Br2NO and a molecular weight of 415.17 g/mol. Its IUPAC name is 3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
PubChem CID107980320
Molecular FormulaC17H21Br2NO
Molecular Weight415.17 g/mol
Exact Mass413.00
IUPAC Name3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
SMILESO=C(c1cc(Br)cc(Br)c1)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C17H21Br2NO/c18-14-8-13(9-15(19)10-14)17(21)20(16-6-7-16)11-12-4-2-1-3-5-12/h8-10,12,16H,1-7,11H2
InChIKeySZFXKJRBBAZVLM-UHFFFAOYSA-N
XLogP5.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.17
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
CID 104852761
3-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 115999697
N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 61053717
5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide
CID 60956316
3,5-dibromo-N-(2-chloroethyl)-N-cyclobutylbenzamide
CID 107975422
4,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylthiophene-2-carboxamide
CID 80536544
4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
CID 60949844
2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 60956169
3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylbenzamide
CID 60963343
2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 63101703
3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 103907777
3-bromo-5-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 102822872

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide?
The IUPAC name of 3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide (CID 107980320) is 3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide.
What is the SMILES notation for 3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide?
The canonical SMILES for 3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide is O=C(c1cc(Br)cc(Br)c1)N(CC1CCCCC1)C1CC1.
What is the InChIKey of 3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide?
The InChIKey is SZFXKJRBBAZVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Br2NO/c18-14-8-13(9-15(19)10-14)17(21)20(16-6-7-16)11-12-4-2-1-3-5-12/h8-10,12,16H,1-7,11H2.
What are the key properties of 3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide?
3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide has a molecular weight of 415.17 g/mol, XLogP of 5.40, 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-(cyclohexylmethyl)-N-cyclopropylbenzamide is sourced from PubChem (CID 107980320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).