N-(3-bromopropyl)-4-ethyl-N-methylbenzamide

C13H18BrNO — CID 106441145

IUPACN-(3-bromopropyl)-4-ethyl-N-methylbenzamide
SMILESCCc1ccc(C(=O)N(C)CCCBr)cc1
InChIInChI=1S/C13H18BrNO/c1-3-11-5-7-12(8-6-11)13(16)15(2)10-4-9-14/h5-8H,3-4,9-10H2,1-2H3
InChIKeyGEELFCPIVXJSLR-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.11
Rot. Bonds5

About N-(3-bromopropyl)-4-ethyl-N-methylbenzamide

N-(3-bromopropyl)-4-ethyl-N-methylbenzamide (PubChem CID 106441145) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(3-bromopropyl)-4-ethyl-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-4-ethyl-N-methylbenzamide
PubChem CID106441145
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-(3-bromopropyl)-4-ethyl-N-methylbenzamide
SMILESCCc1ccc(C(=O)N(C)CCCBr)cc1
InChIInChI=1S/C13H18BrNO/c1-3-11-5-7-12(8-6-11)13(16)15(2)10-4-9-14/h5-8H,3-4,9-10H2,1-2H3
InChIKeyGEELFCPIVXJSLR-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)-N,4-dimethylbenzamide
CID 107206029
3-[(4-ethylbenzoyl)-methylamino]propanoic acid
CID 60989059
N-(5-bromopentyl)-N-methylbenzamide
CID 10356494
4-N-butyl-1-N-(4-ethylphenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048817
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
5-bromo-1-(4-ethylphenyl)pentan-1-one
CID 146006591
4-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 69057682
N-(3-bromopropyl)-3,5-dichloro-N-methylbenzamide
CID 106441473
N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide
CID 107206141
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-4-ethyl-N-methylbenzamide?
The IUPAC name of N-(3-bromopropyl)-4-ethyl-N-methylbenzamide (CID 106441145) is N-(3-bromopropyl)-4-ethyl-N-methylbenzamide.
What is the SMILES notation for N-(3-bromopropyl)-4-ethyl-N-methylbenzamide?
The canonical SMILES for N-(3-bromopropyl)-4-ethyl-N-methylbenzamide is CCc1ccc(C(=O)N(C)CCCBr)cc1.
What is the InChIKey of N-(3-bromopropyl)-4-ethyl-N-methylbenzamide?
The InChIKey is GEELFCPIVXJSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-3-11-5-7-12(8-6-11)13(16)15(2)10-4-9-14/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-4-ethyl-N-methylbenzamide?
N-(3-bromopropyl)-4-ethyl-N-methylbenzamide has a molecular weight of 284.20 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-4-ethyl-N-methylbenzamide is sourced from PubChem (CID 106441145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).