4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide

C19H20FNO3 — CID 111565689

IUPAC4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1ccccc1F)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C19H20FNO3/c20-17-4-2-1-3-16(17)18(22)11-21-19(23)14-7-9-15(10-8-14)24-12-13-5-6-13/h1-4,7-10,13,18,22H,5-6,11-12H2,(H,21,23)
InChIKeyNFMQMHBQGLHTQW-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.08
Rot. Bonds7

About 4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide

4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide (PubChem CID 111565689) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
PubChem CID111565689
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)c1ccccc1F)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C19H20FNO3/c20-17-4-2-1-3-16(17)18(22)11-21-19(23)14-7-9-15(10-8-14)24-12-13-5-6-13/h1-4,7-10,13,18,22H,5-6,11-12H2,(H,21,23)
InChIKeyNFMQMHBQGLHTQW-UHFFFAOYSA-N
XLogP3.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266
4-acetamido-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566086
N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide
CID 56541657
4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461405
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-6-methylsulfanylpyridine-3-carboxamide
CID 111566028
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654846
4-(ethylsulfanylmethyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565953
4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide
CID 95618513
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
2-cyclobutyloxy-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565849

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide (CID 111565689) is 4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide is O=C(NCC(O)c1ccccc1F)c1ccc(OCC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide?
The InChIKey is NFMQMHBQGLHTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-17-4-2-1-3-16(17)18(22)11-21-19(23)14-7-9-15(10-8-14)24-12-13-5-6-13/h1-4,7-10,13,18,22H,5-6,11-12H2,(H,21,23).
What are the key properties of 4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide?
4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide has a molecular weight of 329.37 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 111565689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).