2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide

C21H23FN2O4 — CID 119163719

IUPAC2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1OCC(N)=O)c1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C21H23FN2O4/c1-13(15-8-9-19(17(22)10-15)27-11-14-6-7-14)24-21(26)16-4-2-3-5-18(16)28-12-20(23)25/h2-5,8-10,13-14H,6-7,11-12H2,1H3,(H2,23,25)(H,24,26)
InChIKeyNUJMDIBYIFXYFX-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.97
Rot. Bonds9

About 2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide

2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide (PubChem CID 119163719) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide
PubChem CID119163719
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1OCC(N)=O)c1ccc(OCC2CC2)c(F)c1
InChIInChI=1S/C21H23FN2O4/c1-13(15-8-9-19(17(22)10-15)27-11-14-6-7-14)24-21(26)16-4-2-3-5-18(16)28-12-20(23)25/h2-5,8-10,13-14H,6-7,11-12H2,1H3,(H2,23,25)(H,24,26)
InChIKeyNUJMDIBYIFXYFX-UHFFFAOYSA-N
XLogP2.97
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 71852475
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 71919678
2-(2-amino-2-oxoethoxy)-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 24582222
(2S,4S)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120638097
4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 134013102
2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 9051491
2-(2-ethoxyphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 46828544
2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine
CID 117320100
N-[(1R)-1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 97065846
N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120638103
2-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7199656
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 8795097

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide (CID 119163719) is 2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide is CC(NC(=O)c1ccccc1OCC(N)=O)c1ccc(OCC2CC2)c(F)c1.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide?
The InChIKey is NUJMDIBYIFXYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-13(15-8-9-19(17(22)10-15)27-11-14-6-7-14)24-21(26)16-4-2-3-5-18(16)28-12-20(23)25/h2-5,8-10,13-14H,6-7,11-12H2,1H3,(H2,23,25)(H,24,26).
What are the key properties of 2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide?
2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide has a molecular weight of 386.42 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)-N-[1-[4-(cyclopropylmethoxy)-3-fluorophenyl]ethyl]benzamide is sourced from PubChem (CID 119163719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).