[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium

C18H21F2N2O2+ — CID 9376801

IUPAC[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium
SMILESCCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O2/c1-3-24-15-7-5-14(6-8-15)22-18(23)11-21-12(2)13-4-9-16(19)17(20)10-13/h4-10,12,21H,3,11H2,1-2H3,(H,22,23)/p+1/t12-/m0/s1
InChIKeyCNOYWVRUSOJJBN-LBPRGKRZSA-O
MW335.37 g/mol
LogP2.63
Rot. Bonds7

About [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium

[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium (PubChem CID 9376801) has the molecular formula C18H21F2N2O2+ and a molecular weight of 335.37 g/mol. Its IUPAC name is [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium
PubChem CID9376801
Molecular FormulaC18H21F2N2O2+
Molecular Weight335.37 g/mol
Exact Mass335.16
IUPAC Name[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium
SMILESCCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O2/c1-3-24-15-7-5-14(6-8-15)22-18(23)11-21-12(2)13-4-9-16(19)17(20)10-13/h4-10,12,21H,3,11H2,1-2H3,(H,22,23)/p+1/t12-/m0/s1
InChIKeyCNOYWVRUSOJJBN-LBPRGKRZSA-O
XLogP2.63
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-fluoroanilino)-2-oxoethyl]azanium
CID 9376531
[2-(4-tert-butylanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376285
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]azanium
CID 8638737
[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9044003
N-(3,4-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613478
[2-(4-ethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397491
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]azanium
CID 9376793
[2-(dibenzofuran-2-ylamino)-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 8710645
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 8638826
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-1-(3,4-difluorophenyl)ethyl]azanium
CID 9376397
[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9001081
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369639

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium (CID 9376801) is [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium is CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium?
The InChIKey is CNOYWVRUSOJJBN-LBPRGKRZSA-O. The full InChI is InChI=1S/C18H20F2N2O2/c1-3-24-15-7-5-14(6-8-15)22-18(23)11-21-12(2)13-4-9-16(19)17(20)10-13/h4-10,12,21H,3,11H2,1-2H3,(H,22,23)/p+1/t12-/m0/s1.
What are the key properties of [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium?
[(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium has a molecular weight of 335.37 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3,4-difluorophenyl)ethyl]-[2-(4-ethoxyanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9376801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).