2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide

C13H15BrF2N2O — CID 106268832

IUPAC2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C13H15BrF2N2O/c1-18(7-12(19)17-8-2-3-8)6-9-11(15)5-4-10(14)13(9)16/h4-5,8H,2-3,6-7H2,1H3,(H,17,19)
InChIKeyUOIJEQTVKGUJNI-UHFFFAOYSA-N
MW333.18 g/mol
LogP2.44
Rot. Bonds5

About 2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide

2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide (PubChem CID 106268832) has the molecular formula C13H15BrF2N2O and a molecular weight of 333.18 g/mol. Its IUPAC name is 2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide
PubChem CID106268832
Molecular FormulaC13H15BrF2N2O
Molecular Weight333.18 g/mol
Exact Mass332.03
IUPAC Name2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C13H15BrF2N2O/c1-18(7-12(19)17-8-2-3-8)6-9-11(15)5-4-10(14)13(9)16/h4-5,8H,2-3,6-7H2,1H3,(H,17,19)
InChIKeyUOIJEQTVKGUJNI-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-4-fluorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 54980387
2-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl-methylamino]-N-cyclopropylacetamide
CID 9285985
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 8911502
2-[(3-bromo-2,6-difluorophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 114165830
N-cyclopropyl-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 51076389
2-[(2-amino-6-chlorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 55241095
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-methoxy-N-methylethanamine
CID 106268713
2-[(3-bromo-2,6-difluorophenyl)methyl-ethylamino]-N-ethylacetamide
CID 106268754
N-cyclopropyl-2-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]acetamide
CID 62035342
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide
CID 9053665
2-[[2-(aminomethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 43575631
N-cyclopropyl-2-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-methylamino]acetamide
CID 105351871

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide (CID 106268832) is 2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is UOIJEQTVKGUJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2N2O/c1-18(7-12(19)17-8-2-3-8)6-9-11(15)5-4-10(14)13(9)16/h4-5,8H,2-3,6-7H2,1H3,(H,17,19).
What are the key properties of 2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide?
2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 333.18 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2,6-difluorophenyl)methyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 106268832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).