2-bromo-5-propan-2-yloxy-N-propylbenzamide

C13H18BrNO2 — CID 172648130

IUPAC2-bromo-5-propan-2-yloxy-N-propylbenzamide
SMILESCCCNC(=O)c1cc(OC(C)C)ccc1Br
InChIInChI=1S/C13H18BrNO2/c1-4-7-15-13(16)11-8-10(17-9(2)3)5-6-12(11)14/h5-6,8-9H,4,7H2,1-3H3,(H,15,16)
InChIKeyVKLISCXLNKSCBL-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.38
Rot. Bonds5

About 2-bromo-5-propan-2-yloxy-N-propylbenzamide

2-bromo-5-propan-2-yloxy-N-propylbenzamide (PubChem CID 172648130) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-bromo-5-propan-2-yloxy-N-propylbenzamide.

Molecular Properties

Compound Name2-bromo-5-propan-2-yloxy-N-propylbenzamide
PubChem CID172648130
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-bromo-5-propan-2-yloxy-N-propylbenzamide
SMILESCCCNC(=O)c1cc(OC(C)C)ccc1Br
InChIInChI=1S/C13H18BrNO2/c1-4-7-15-13(16)11-8-10(17-9(2)3)5-6-12(11)14/h5-6,8-9H,4,7H2,1-3H3,(H,15,16)
InChIKeyVKLISCXLNKSCBL-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 55749089
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide
CID 125144555
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
2,5-dibromo-N-(4-propan-2-yloxyphenyl)benzamide
CID 114370108
2-bromo-N-[2-(dimethylamino)propyl]-5-methoxybenzamide
CID 60748647
2-[(4-propan-2-yloxybenzoyl)amino]-N-propylbenzamide
CID 4951942
2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide
CID 103719286
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-propan-2-yloxy-N-propylbenzamide?
The IUPAC name of 2-bromo-5-propan-2-yloxy-N-propylbenzamide (CID 172648130) is 2-bromo-5-propan-2-yloxy-N-propylbenzamide.
What is the SMILES notation for 2-bromo-5-propan-2-yloxy-N-propylbenzamide?
The canonical SMILES for 2-bromo-5-propan-2-yloxy-N-propylbenzamide is CCCNC(=O)c1cc(OC(C)C)ccc1Br.
What is the InChIKey of 2-bromo-5-propan-2-yloxy-N-propylbenzamide?
The InChIKey is VKLISCXLNKSCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-4-7-15-13(16)11-8-10(17-9(2)3)5-6-12(11)14/h5-6,8-9H,4,7H2,1-3H3,(H,15,16).
What are the key properties of 2-bromo-5-propan-2-yloxy-N-propylbenzamide?
2-bromo-5-propan-2-yloxy-N-propylbenzamide has a molecular weight of 300.20 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 2-bromo-5-propan-2-yloxy-N-propylbenzamide is sourced from PubChem (CID 172648130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).