3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide

C14H17Br2NO — CID 103907777

IUPAC3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CC1)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H17Br2NO/c1-9(2)17(8-10-3-4-10)14(18)11-5-12(15)7-13(16)6-11/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyRPIDEMDDOGMFHS-UHFFFAOYSA-N
MW375.10 g/mol
LogP4.47
Rot. Bonds4

About 3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide

3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide (PubChem CID 103907777) has the molecular formula C14H17Br2NO and a molecular weight of 375.10 g/mol. Its IUPAC name is 3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
PubChem CID103907777
Molecular FormulaC14H17Br2NO
Molecular Weight375.10 g/mol
Exact Mass372.97
IUPAC Name3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CC1)C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C14H17Br2NO/c1-9(2)17(8-10-3-4-10)14(18)11-5-12(15)7-13(16)6-11/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyRPIDEMDDOGMFHS-UHFFFAOYSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.10
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 54942821
N-(cyclopropylmethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide
CID 113224073
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 79722133
5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide
CID 113224070
3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 60783055
3-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
CID 104852761
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 55000544
3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
CID 104851891
N-(2-amino-2-sulfanylideneethyl)-3,5-dibromo-N-propan-2-ylbenzamide
CID 107972248
3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 55000146
3,5-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107980072
3-bromo-5-fluoro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626571

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide (CID 103907777) is 3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide is CC(C)N(CC1CC1)C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide?
The InChIKey is RPIDEMDDOGMFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO/c1-9(2)17(8-10-3-4-10)14(18)11-5-12(15)7-13(16)6-11/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide?
3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide has a molecular weight of 375.10 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-(cyclopropylmethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 103907777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).