[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium

C19H24FN2O+ — CID 9132052

IUPAC[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
SMILESCc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)c(F)c1
InChIInChI=1S/C19H23FN2O/c1-13(2)19(15-7-5-4-6-8-15)21-12-18(23)22-17-10-9-14(3)11-16(17)20/h4-11,13,19,21H,12H2,1-3H3,(H,22,23)/p+1/t19-/m0/s1
InChIKeyZXMDOEUMTSERSS-IBGZPJMESA-O
MW315.41 g/mol
LogP3.03
Rot. Bonds6

About [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium

[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium (PubChem CID 9132052) has the molecular formula C19H24FN2O+ and a molecular weight of 315.41 g/mol. Its IUPAC name is [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium.

Molecular Properties

Compound Name[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
PubChem CID9132052
Molecular FormulaC19H24FN2O+
Molecular Weight315.41 g/mol
Exact Mass315.19
IUPAC Name[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
SMILESCc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)c(F)c1
InChIInChI=1S/C19H23FN2O/c1-13(2)19(15-7-5-4-6-8-15)21-12-18(23)22-17-10-9-14(3)11-16(17)20/h4-11,13,19,21H,12H2,1-3H3,(H,22,23)/p+1/t19-/m0/s1
InChIKeyZXMDOEUMTSERSS-IBGZPJMESA-O
XLogP3.03
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2,4-dimethylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9131700
[2-(2,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131689
[2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131816
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132012
[2-(3,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131666
N-(2-fluoro-4-methylphenyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8898768
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9131604
3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 43114261
[2-(2,4-difluoroanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684101
[2-(2-acetylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132063
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131551
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397775

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
The IUPAC name of [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium (CID 9132052) is [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium.
What is the SMILES notation for [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
The canonical SMILES for [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium is Cc1ccc(NC(=O)C[NH2+][C@H](c2ccccc2)C(C)C)c(F)c1.
What is the InChIKey of [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
The InChIKey is ZXMDOEUMTSERSS-IBGZPJMESA-O. The full InChI is InChI=1S/C19H23FN2O/c1-13(2)19(15-7-5-4-6-8-15)21-12-18(23)22-17-10-9-14(3)11-16(17)20/h4-11,13,19,21H,12H2,1-3H3,(H,22,23)/p+1/t19-/m0/s1.
What are the key properties of [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium?
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium has a molecular weight of 315.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium is sourced from PubChem (CID 9132052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).