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

C18H19F2N2O3+ — CID 9370103

IUPAC[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
SMILESCOC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O3/c1-11(13-8-7-12(19)9-15(13)20)21-10-17(23)22-16-6-4-3-5-14(16)18(24)25-2/h3-9,11,21H,10H2,1-2H3,(H,22,23)/p+1/t11-/m0/s1
InChIKeyDCMUANPMFIQPMF-NSHDSACASA-O
MW349.36 g/mol
LogP2.01
Rot. Bonds6

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

[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium (PubChem CID 9370103) has the molecular formula C18H19F2N2O3+ and a molecular weight of 349.36 g/mol. Its IUPAC name is [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
PubChem CID9370103
Molecular FormulaC18H19F2N2O3+
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
SMILESCOC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O3/c1-11(13-8-7-12(19)9-15(13)20)21-10-17(23)22-16-6-4-3-5-14(16)18(24)25-2/h3-9,11,21H,10H2,1-2H3,(H,22,23)/p+1/t11-/m0/s1
InChIKeyDCMUANPMFIQPMF-NSHDSACASA-O
XLogP2.01
TPSA72.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium with MolForge

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Related Compounds

[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9331231
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9370160
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9370154
[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9369550
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9369546
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 9369566
methyl 2-[[2-(2,4-difluorophenoxy)acetyl]amino]benzoate
CID 797161
[2-(4-bromo-2-methylanilino)-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369090
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369639
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 9369126
[2-(3-bromoanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369623
[2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684101

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium (CID 9370103) is [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium is COC(=O)c1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(F)cc1F.
What is the InChIKey of [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
The InChIKey is DCMUANPMFIQPMF-NSHDSACASA-O. The full InChI is InChI=1S/C18H18F2N2O3/c1-11(13-8-7-12(19)9-15(13)20)21-10-17(23)22-16-6-4-3-5-14(16)18(24)25-2/h3-9,11,21H,10H2,1-2H3,(H,22,23)/p+1/t11-/m0/s1.
What are the key properties of [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium?
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium has a molecular weight of 349.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9370103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).