2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide

C19H23FN2O — CID 9133292

IUPAC2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN[C@H](c2ccc(F)cc2)C(C)C)c1
InChIInChI=1S/C19H23FN2O/c1-13(2)19(15-7-9-16(20)10-8-15)21-12-18(23)22-17-6-4-5-14(3)11-17/h4-11,13,19,21H,12H2,1-3H3,(H,22,23)/t19-/m0/s1
InChIKeyIYEAPEXBXOFISM-IBGZPJMESA-N
MW314.40 g/mol
LogP4.06
Rot. Bonds6

About 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide

2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide (PubChem CID 9133292) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide
PubChem CID9133292
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN[C@H](c2ccc(F)cc2)C(C)C)c1
InChIInChI=1S/C19H23FN2O/c1-13(2)19(15-7-9-16(20)10-8-15)21-12-18(23)22-17-6-4-5-14(3)11-17/h4-11,13,19,21H,12H2,1-3H3,(H,22,23)/t19-/m0/s1
InChIKeyIYEAPEXBXOFISM-IBGZPJMESA-N
XLogP4.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555
N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136
N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133410
N-(2,6-diethylphenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133408
N-(3-methoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131545
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9133481
N-[4-(difluoromethylsulfanyl)phenyl]-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 39991641
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347088
2-(but-3-yn-2-ylamino)-N-(3-methylphenyl)acetamide
CID 114416946
2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 8923977
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide (CID 9133292) is 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN[C@H](c2ccc(F)cc2)C(C)C)c1.
What is the InChIKey of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide?
The InChIKey is IYEAPEXBXOFISM-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23FN2O/c1-13(2)19(15-7-9-16(20)10-8-15)21-12-18(23)22-17-6-4-5-14(3)11-17/h4-11,13,19,21H,12H2,1-3H3,(H,22,23)/t19-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide?
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide has a molecular weight of 314.40 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 9133292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).