2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide

C19H19F2NO3 — CID 111451224

IUPAC2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1c(F)cccc1F)c1ccccc1OCC1CC1
InChIInChI=1S/C19H19F2NO3/c20-14-5-3-6-15(21)18(14)16(23)10-22-19(24)13-4-1-2-7-17(13)25-11-12-8-9-12/h1-7,12,16,23H,8-11H2,(H,22,24)
InChIKeyAHOCGPBPWPOURI-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.22
Rot. Bonds7

About 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide

2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide (PubChem CID 111451224) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide
PubChem CID111451224
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Name2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1c(F)cccc1F)c1ccccc1OCC1CC1
InChIInChI=1S/C19H19F2NO3/c20-14-5-3-6-15(21)18(14)16(23)10-22-19(24)13-4-1-2-7-17(13)25-11-12-8-9-12/h1-7,12,16,23H,8-11H2,(H,22,24)
InChIKeyAHOCGPBPWPOURI-UHFFFAOYSA-N
XLogP3.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide
CID 111451344
4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
CID 119170749
2-cyclobutyloxy-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565849
4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565689
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 111452346
N-(2-benzyl-3-hydroxy-2-methylpropyl)-2-(cyclopropylmethoxy)benzamide
CID 119048160
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
CID 111451432
4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid
CID 119165490
2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944904
2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 111433871
2-(cyclopropylmethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 86877169
N-(cyclopropylmethyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 34822016

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide (CID 111451224) is 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide is O=C(NCC(O)c1c(F)cccc1F)c1ccccc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide?
The InChIKey is AHOCGPBPWPOURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3/c20-14-5-3-6-15(21)18(14)16(23)10-22-19(24)13-4-1-2-7-17(13)25-11-12-8-9-12/h1-7,12,16,23H,8-11H2,(H,22,24).
What are the key properties of 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide?
2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide has a molecular weight of 347.36 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 111451224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).