3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide

C15H20BrNO2 — CID 54942821

IUPAC3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(CC2CC2)C(C)C)cc1Br
InChIInChI=1S/C15H20BrNO2/c1-10(2)17(9-11-4-5-11)15(18)12-6-7-14(19-3)13(16)8-12/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyATVYKSYROBOBAS-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.72
Rot. Bonds5

About 3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide

3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide (PubChem CID 54942821) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
PubChem CID54942821
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccc(C(=O)N(CC2CC2)C(C)C)cc1Br
InChIInChI=1S/C15H20BrNO2/c1-10(2)17(9-11-4-5-11)15(18)12-6-7-14(19-3)13(16)8-12/h6-8,10-11H,4-5,9H2,1-3H3
InChIKeyATVYKSYROBOBAS-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[(3-bromo-4-methoxybenzoyl)-propan-2-ylamino]acetate
CID 61021807
5-amino-N-(cyclopropylmethyl)-2-methoxy-N-propan-2-ylbenzamide
CID 55001132
3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 103907777
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 3347701
3-bromo-4-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 107990652
2-[(3-bromo-4-methoxybenzoyl)-butan-2-ylamino]acetic acid
CID 60829055
3-bromo-N-butan-2-yl-4-methoxy-N-methylbenzamide
CID 61025993
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 55000544
N-(cyclopropylmethyl)-1-methyl-2-oxo-N-propan-2-ylpyridine-4-carboxamide
CID 113224073
3-carbamothioyl-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 55000146
1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone
CID 63630548
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CID 102872904

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of 3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide (CID 54942821) is 3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide is COc1ccc(C(=O)N(CC2CC2)C(C)C)cc1Br.
What is the InChIKey of 3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide?
The InChIKey is ATVYKSYROBOBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-10(2)17(9-11-4-5-11)15(18)12-6-7-14(19-3)13(16)8-12/h6-8,10-11H,4-5,9H2,1-3H3.
What are the key properties of 3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide?
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 54942821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).