4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide

C14H18BrNO2 — CID 78956600

IUPAC4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(C)CC1CC1
InChIInChI=1S/C14H18BrNO2/c1-9(7-10-3-4-10)16-14(17)12-6-5-11(15)8-13(12)18-2/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyHBOUXQUSHPIGMY-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.38
Rot. Bonds5

About 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide

4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide (PubChem CID 78956600) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide
PubChem CID78956600
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)NC(C)CC1CC1
InChIInChI=1S/C14H18BrNO2/c1-9(7-10-3-4-10)16-14(17)12-6-5-11(15)8-13(12)18-2/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyHBOUXQUSHPIGMY-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
4-bromo-2-methoxy-N-pent-4-en-2-ylbenzamide
CID 115631363
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide
CID 113235026
4-bromo-N-(1,1-dimethoxypropan-2-yl)-2-methoxybenzamide
CID 115369120
4-bromo-2-methoxy-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide
CID 78988208
2-[(4-bromo-2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 115368583
N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-propan-2-yloxybenzamide
CID 120504701
1-(4-bromo-2-methoxyphenyl)-3-cyclopropylpropan-1-one
CID 114978342
(E)-2-[(4-bromo-2-methoxybenzoyl)amino]hex-4-enoic acid
CID 120692805
4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide
CID 106131969
4-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]-2-methoxybenzamide
CID 78987536
N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 113341412

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide?
The IUPAC name of 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide (CID 78956600) is 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide?
The canonical SMILES for 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)NC(C)CC1CC1.
What is the InChIKey of 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide?
The InChIKey is HBOUXQUSHPIGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-9(7-10-3-4-10)16-14(17)12-6-5-11(15)8-13(12)18-2/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide?
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide has a molecular weight of 312.21 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 78956600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).