[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium

C17H19F2N2O+ — CID 9248668

IUPAC[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
SMILESC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C17H18F2N2O/c1-11(13-6-4-3-5-7-13)20-12(2)17(22)21-16-9-8-14(18)10-15(16)19/h3-12,20H,1-2H3,(H,21,22)/p+1/t11-,12+/m0/s1
InChIKeyPKDXDIFEAXCHMQ-NWDGAFQWSA-O
MW305.35 g/mol
LogP2.62
Rot. Bonds5

About [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium

[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium (PubChem CID 9248668) has the molecular formula C17H19F2N2O+ and a molecular weight of 305.35 g/mol. Its IUPAC name is [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
PubChem CID9248668
Molecular FormulaC17H19F2N2O+
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
SMILESC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C17H18F2N2O/c1-11(13-6-4-3-5-7-13)20-12(2)17(22)21-16-9-8-14(18)10-15(16)19/h3-12,20H,1-2H3,(H,21,22)/p+1/t11-,12+/m0/s1
InChIKeyPKDXDIFEAXCHMQ-NWDGAFQWSA-O
XLogP2.62
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684101
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
[(2S)-1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 2576614
[(2S)-1-(2-acetylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248794
benzhydryl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]azanium
CID 2551581
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248578
(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide
CID 2547216
[(1R)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]azanium
CID 9368994
N-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082
N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
CID 18160924
benzyl-[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274668
N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51158539

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium?
The IUPAC name of [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium (CID 9248668) is [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium.
What is the SMILES notation for [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium?
The canonical SMILES for [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium is C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium?
The InChIKey is PKDXDIFEAXCHMQ-NWDGAFQWSA-O. The full InChI is InChI=1S/C17H18F2N2O/c1-11(13-6-4-3-5-7-13)20-12(2)17(22)21-16-9-8-14(18)10-15(16)19/h3-12,20H,1-2H3,(H,21,22)/p+1/t11-,12+/m0/s1.
What are the key properties of [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium?
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium has a molecular weight of 305.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium is sourced from PubChem (CID 9248668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).