N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide

C14H20BrNO2 — CID 113426450

IUPACN-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N(C)C(C)CBr)cc1
InChIInChI=1S/C14H20BrNO2/c1-10(2)18-13-7-5-12(6-8-13)14(17)16(4)11(3)9-15/h5-8,10-11H,9H2,1-4H3
InChIKeyDIKWECLJAHGHSL-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.33
Rot. Bonds5

About N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide

N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide (PubChem CID 113426450) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide
PubChem CID113426450
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N(C)C(C)CBr)cc1
InChIInChI=1S/C14H20BrNO2/c1-10(2)18-13-7-5-12(6-8-13)14(17)16(4)11(3)9-15/h5-8,10-11H,9H2,1-4H3
InChIKeyDIKWECLJAHGHSL-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromopropan-2-yl)-4-methoxy-N-methylbenzamide
CID 104556200
N-(1-bromopropan-2-yl)-4-butoxy-N-methylbenzamide
CID 104555948
N-(1-bromopropan-2-yl)-4-iodo-N-methylbenzamide
CID 104556339
N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide
CID 107206141
N-(1-bromopropan-2-yl)-3-methoxy-N-methylbenzamide
CID 104555963
N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide
CID 104555993
3-bromo-N-(1-bromopropan-2-yl)-4-fluoro-N-methylbenzamide
CID 107956806
N-(1-chloropropan-2-yl)-4-ethoxy-N-methylbenzamide
CID 104555583
2-(dimethylamino)-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 79061219
N-(2-bromoethyl)-N-cyclopentyl-4-propan-2-yloxybenzamide
CID 80652714
3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 61007975
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide?
The IUPAC name of N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide (CID 113426450) is N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N(C)C(C)CBr)cc1.
What is the InChIKey of N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide?
The InChIKey is DIKWECLJAHGHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10(2)18-13-7-5-12(6-8-13)14(17)16(4)11(3)9-15/h5-8,10-11H,9H2,1-4H3.
What are the key properties of N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide?
N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide has a molecular weight of 314.22 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-N-methyl-4-propan-2-yloxybenzamide is sourced from PubChem (CID 113426450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).