N-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide

C14H20BrNO3 — CID 106184785

IUPACN-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC(CBr)COC)c1
InChIInChI=1S/C14H20BrNO3/c1-3-7-19-13-6-4-5-11(8-13)14(17)16-12(9-15)10-18-2/h4-6,8,12H,3,7,9-10H2,1-2H3,(H,16,17)
InChIKeyHBFJSCYIPRDLHN-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.62
Rot. Bonds8

About N-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide

N-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide (PubChem CID 106184785) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide
PubChem CID106184785
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC NameN-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC(CBr)COC)c1
InChIInChI=1S/C14H20BrNO3/c1-3-7-19-13-6-4-5-11(8-13)14(17)16-12(9-15)10-18-2/h4-6,8,12H,3,7,9-10H2,1-2H3,(H,16,17)
InChIKeyHBFJSCYIPRDLHN-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide
CID 106183814
N-(3-oxobutan-2-yl)-3-propoxybenzamide
CID 64996689
N-(1-bromo-4,4-dimethylpentan-3-yl)-3-propoxybenzamide
CID 106356268
2-[(3-propoxybenzoyl)amino]butanoic acid
CID 62920008
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid
CID 119165643
N-(2-bromopentyl)-3-propoxybenzamide
CID 113496505
methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate
CID 23821566

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide?
The IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide (CID 106184785) is N-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide.
What is the SMILES notation for N-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide?
The canonical SMILES for N-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide is CCCOc1cccc(C(=O)NC(CBr)COC)c1.
What is the InChIKey of N-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide?
The InChIKey is HBFJSCYIPRDLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-3-7-19-13-6-4-5-11(8-13)14(17)16-12(9-15)10-18-2/h4-6,8,12H,3,7,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide?
N-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide has a molecular weight of 330.22 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methoxypropan-2-yl)-3-propoxybenzamide is sourced from PubChem (CID 106184785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).