benzyl 3-[benzyl(ethyl)amino]-2-fluoropropanoate

C19H22FNO2 — CID 163490071

IUPACbenzyl 3-[benzyl(ethyl)amino]-2-fluoropropanoate
SMILESCCN(Cc1ccccc1)CC(F)C(=O)OCc1ccccc1
InChIInChI=1S/C19H22FNO2/c1-2-21(13-16-9-5-3-6-10-16)14-18(20)19(22)23-15-17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3
InChIKeyCLVJFKLLJANHFO-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.59
Rot. Bonds8

About benzyl 3-[benzyl(ethyl)amino]-2-fluoropropanoate

benzyl 3-[benzyl(ethyl)amino]-2-fluoropropanoate (PubChem CID 163490071) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is benzyl 3-[benzyl(ethyl)amino]-2-fluoropropanoate.

Molecular Properties

Compound Namebenzyl 3-[benzyl(ethyl)amino]-2-fluoropropanoate
PubChem CID163490071
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Namebenzyl 3-[benzyl(ethyl)amino]-2-fluoropropanoate
SMILESCCN(Cc1ccccc1)CC(F)C(=O)OCc1ccccc1
InChIInChI=1S/C19H22FNO2/c1-2-21(13-16-9-5-3-6-10-16)14-18(20)19(22)23-15-17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3
InChIKeyCLVJFKLLJANHFO-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-[benzyl(ethyl)amino]-2-fluoropropanoate?
The IUPAC name of benzyl 3-[benzyl(ethyl)amino]-2-fluoropropanoate (CID 163490071) is benzyl 3-[benzyl(ethyl)amino]-2-fluoropropanoate.
What is the SMILES notation for benzyl 3-[benzyl(ethyl)amino]-2-fluoropropanoate?
The canonical SMILES for benzyl 3-[benzyl(ethyl)amino]-2-fluoropropanoate is CCN(Cc1ccccc1)CC(F)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-[benzyl(ethyl)amino]-2-fluoropropanoate?
The InChIKey is CLVJFKLLJANHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-2-21(13-16-9-5-3-6-10-16)14-18(20)19(22)23-15-17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3.
What are the key properties of benzyl 3-[benzyl(ethyl)amino]-2-fluoropropanoate?
benzyl 3-[benzyl(ethyl)amino]-2-fluoropropanoate has a molecular weight of 315.39 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[benzyl(ethyl)amino]-2-fluoropropanoate is sourced from PubChem (CID 163490071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).