2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide

C19H23FN2O3 — CID 118781955

IUPAC2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide
SMILESCc1ccc(OCC(C)NC(=O)c2cc(F)ccc2OCCN)cc1
InChIInChI=1S/C19H23FN2O3/c1-13-3-6-16(7-4-13)25-12-14(2)22-19(23)17-11-15(20)5-8-18(17)24-10-9-21/h3-8,11,14H,9-10,12,21H2,1-2H3,(H,22,23)
InChIKeySEGDPNDKYAHTEL-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.67
Rot. Bonds8

About 2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide

2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide (PubChem CID 118781955) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide
PubChem CID118781955
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide
SMILESCc1ccc(OCC(C)NC(=O)c2cc(F)ccc2OCCN)cc1
InChIInChI=1S/C19H23FN2O3/c1-13-3-6-16(7-4-13)25-12-14(2)22-19(23)17-11-15(20)5-8-18(17)24-10-9-21/h3-8,11,14H,9-10,12,21H2,1-2H3,(H,22,23)
InChIKeySEGDPNDKYAHTEL-UHFFFAOYSA-N
XLogP2.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethoxy)-5-fluoro-N-propan-2-ylbenzamide;hydrochloride
CID 166174909
2-(2-aminoethoxy)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-fluorobenzamide
CID 119064151
acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 154906225
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
CID 117061953
4-chloro-2-fluoro-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100540757
2-(2-aminoethoxy)-N-cyclopropyl-5-fluorobenzamide;hydrochloride
CID 166174911
N-(1-aminopropan-2-yl)-2,4-difluorobenzamide
CID 63731532
1-[1-(4-fluorophenoxy)propan-2-yl]-3-[(4-methylphenyl)methyl]urea
CID 60554656
3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100611701
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133163829
2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625056

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide?
The IUPAC name of 2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide (CID 118781955) is 2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide?
The canonical SMILES for 2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide is Cc1ccc(OCC(C)NC(=O)c2cc(F)ccc2OCCN)cc1.
What is the InChIKey of 2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide?
The InChIKey is SEGDPNDKYAHTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-13-3-6-16(7-4-13)25-12-14(2)22-19(23)17-11-15(20)5-8-18(17)24-10-9-21/h3-8,11,14H,9-10,12,21H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide?
2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide has a molecular weight of 346.40 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-5-fluoro-N-[1-(4-methylphenoxy)propan-2-yl]benzamide is sourced from PubChem (CID 118781955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).