N-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide

C15H18BrF2NO — CID 102872497

IUPACN-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1F)N(CCCBr)C1CCC1
InChIInChI=1S/C15H18BrF2NO/c16-8-3-9-19(12-5-2-6-12)14(20)10-11-4-1-7-13(17)15(11)18/h1,4,7,12H,2-3,5-6,8-10H2
InChIKeyDDVIYRFSMKQMHM-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.67
Rot. Bonds6

About N-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide

N-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide (PubChem CID 102872497) has the molecular formula C15H18BrF2NO and a molecular weight of 346.22 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide
PubChem CID102872497
Molecular FormulaC15H18BrF2NO
Molecular Weight346.22 g/mol
Exact Mass345.05
IUPAC NameN-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1F)N(CCCBr)C1CCC1
InChIInChI=1S/C15H18BrF2NO/c16-8-3-9-19(12-5-2-6-12)14(20)10-11-4-1-7-13(17)15(11)18/h1,4,7,12H,2-3,5-6,8-10H2
InChIKeyDDVIYRFSMKQMHM-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.67
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-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 80659219
N-(2-chloroethyl)-N-cyclobutyl-2-(2-fluorophenyl)acetamide
CID 102872699
N-(3-aminopropyl)-N-cyclopropyl-2-(2-fluorophenyl)acetamide
CID 43136756
N-(2-bromoethyl)-2-(2,3-difluorophenyl)-N-propan-2-ylacetamide
CID 80666213
N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 80659112
N-(3-bromopropyl)-N-cyclobutylpropanamide
CID 102872394
N-(2-aminoethyl)-N-cyclobutyl-2-naphthalen-1-ylacetamide
CID 102874058
2-(2-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799977
N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide
CID 80658910
N-(3-bromopropyl)-4-chloro-N-cyclobutylbenzamide
CID 102872326
N-(3-aminopropyl)-N-cyclopropyl-2-(2-hydroxyphenyl)acetamide
CID 80744348
N-(2-aminoethyl)-N-cyclopentyl-2-(2-hydroxyphenyl)acetamide
CID 80743733

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide?
The IUPAC name of N-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide (CID 102872497) is N-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide.
What is the SMILES notation for N-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide?
The canonical SMILES for N-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide is O=C(Cc1cccc(F)c1F)N(CCCBr)C1CCC1.
What is the InChIKey of N-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide?
The InChIKey is DDVIYRFSMKQMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF2NO/c16-8-3-9-19(12-5-2-6-12)14(20)10-11-4-1-7-13(17)15(11)18/h1,4,7,12H,2-3,5-6,8-10H2.
What are the key properties of N-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide?
N-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide has a molecular weight of 346.22 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-cyclobutyl-2-(2,3-difluorophenyl)acetamide is sourced from PubChem (CID 102872497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).