[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium

C17H18ClF2N2O2+ — CID 9370160

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
SMILESCOc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C17H17ClF2N2O2/c1-10(13-5-4-12(19)8-14(13)20)21-9-17(23)22-15-7-11(18)3-6-16(15)24-2/h3-8,10,21H,9H2,1-2H3,(H,22,23)/p+1/t10-/m1/s1
InChIKeyCDQSDLMGTZILHX-SNVBAGLBSA-O
MW355.79 g/mol
LogP2.89
Rot. Bonds6

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium (PubChem CID 9370160) has the molecular formula C17H18ClF2N2O2+ and a molecular weight of 355.79 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
PubChem CID9370160
Molecular FormulaC17H18ClF2N2O2+
Molecular Weight355.79 g/mol
Exact Mass355.10
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
SMILESCOc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C17H17ClF2N2O2/c1-10(13-5-4-12(19)8-14(13)20)21-9-17(23)22-15-7-11(18)3-6-16(15)24-2/h3-8,10,21H,9H2,1-2H3,(H,22,23)/p+1/t10-/m1/s1
InChIKeyCDQSDLMGTZILHX-SNVBAGLBSA-O
XLogP2.89
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9370154
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1S)-1-(2-chlorophenyl)ethyl]azanium
CID 9307077
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9370103
[2-(3,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 9369639
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9369546
N'-(5-chloro-2-methoxyphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108502324
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(3,4-dimethylanilino)-2-oxoethyl]azanium
CID 9369502
[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-[2-(2,5-difluoroanilino)-2-oxoethyl]azanium
CID 9001304
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 9369566
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47412284
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823508

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium (CID 9370160) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium is COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C)c1ccc(F)cc1F.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium?
The InChIKey is CDQSDLMGTZILHX-SNVBAGLBSA-O. The full InChI is InChI=1S/C17H17ClF2N2O2/c1-10(13-5-4-12(19)8-14(13)20)21-9-17(23)22-15-7-11(18)3-6-16(15)24-2/h3-8,10,21H,9H2,1-2H3,(H,22,23)/p+1/t10-/m1/s1.
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium has a molecular weight of 355.79 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium is sourced from PubChem (CID 9370160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).