N-[(2R)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide

C17H23FN2O3 — CID 95131416

IUPACN-[(2R)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2C)CCC1
InChIInChI=1S/C17H23FN2O3/c1-11-5-6-13(18)9-14(11)20-15(21)12(2)19-16(22)17(10-23-3)7-4-8-17/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,19,22)(H,20,21)/t12-/m1/s1
InChIKeyOUIUCTNTRKKUJU-GFCCVEGCSA-N
MW322.38 g/mol
LogP2.39
Rot. Bonds6

About N-[(2R)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide

N-[(2R)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide (PubChem CID 95131416) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is N-[(2R)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
PubChem CID95131416
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC NameN-[(2R)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2C)CCC1
InChIInChI=1S/C17H23FN2O3/c1-11-5-6-13(18)9-14(11)20-15(21)12(2)19-16(22)17(10-23-3)7-4-8-17/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,19,22)(H,20,21)/t12-/m1/s1
InChIKeyOUIUCTNTRKKUJU-GFCCVEGCSA-N
XLogP2.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 50875684
N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
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1-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119674013
N'-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-N-(2-propan-2-ylphenyl)butanediamide
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2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 51604994
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
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2-(1-aminocyclopentyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 64683745
1-(methoxymethyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclobutane-1-carboxamide
CID 95126675
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
(2R)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide
CID 9097710
N-[1-(2,4-difluorophenyl)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634751

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(2R)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide (CID 95131416) is N-[(2R)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(2R)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide is COCC1(C(=O)N[C@H](C)C(=O)Nc2cc(F)ccc2C)CCC1.
What is the InChIKey of N-[(2R)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The InChIKey is OUIUCTNTRKKUJU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-11-5-6-13(18)9-14(11)20-15(21)12(2)19-16(22)17(10-23-3)7-4-8-17/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,19,22)(H,20,21)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
N-[(2R)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide has a molecular weight of 322.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 95131416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).