N-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide

C14H19BrF2N2O2 — CID 107485107

IUPACN-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide
SMILESCN(Cc1ccccc1Br)C(=O)CN(CCO)CC(F)F
InChIInChI=1S/C14H19BrF2N2O2/c1-18(8-11-4-2-3-5-12(11)15)14(21)10-19(6-7-20)9-13(16)17/h2-5,13,20H,6-10H2,1H3
InChIKeyMYVZEWWNVQQIKZ-UHFFFAOYSA-N
MW365.22 g/mol
LogP1.97
Rot. Bonds8

About N-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide

N-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide (PubChem CID 107485107) has the molecular formula C14H19BrF2N2O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide
PubChem CID107485107
Molecular FormulaC14H19BrF2N2O2
Molecular Weight365.22 g/mol
Exact Mass364.06
IUPAC NameN-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide
SMILESCN(Cc1ccccc1Br)C(=O)CN(CCO)CC(F)F
InChIInChI=1S/C14H19BrF2N2O2/c1-18(8-11-4-2-3-5-12(11)15)14(21)10-19(6-7-20)9-13(16)17/h2-5,13,20H,6-10H2,1H3
InChIKeyMYVZEWWNVQQIKZ-UHFFFAOYSA-N
XLogP1.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide (CID 107485107) is N-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide is CN(Cc1ccccc1Br)C(=O)CN(CCO)CC(F)F.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide?
The InChIKey is MYVZEWWNVQQIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF2N2O2/c1-18(8-11-4-2-3-5-12(11)15)14(21)10-19(6-7-20)9-13(16)17/h2-5,13,20H,6-10H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide?
N-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide has a molecular weight of 365.22 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-methylacetamide is sourced from PubChem (CID 107485107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).