2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide

C17H18F2N2O — CID 9369627

IUPAC2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN[C@@H](C)c1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O/c1-11-5-3-4-6-16(11)21-17(22)10-20-12(2)14-8-7-13(18)9-15(14)19/h3-9,12,20H,10H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyLAXREZRMVRACGN-LBPRGKRZSA-N
MW304.34 g/mol
LogP3.56
Rot. Bonds5

About 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide

2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide (PubChem CID 9369627) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
PubChem CID9369627
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN[C@@H](C)c1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O/c1-11-5-3-4-6-16(11)21-17(22)10-20-12(2)14-8-7-13(18)9-15(14)19/h3-9,12,20H,10H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyLAXREZRMVRACGN-LBPRGKRZSA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9369939
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 9369894
N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9370342
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide
CID 9369657
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370543
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370539
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9370429
N-(2,6-difluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369757
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369741
N-(4-bromo-2-fluorophenyl)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369736
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9370392

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide (CID 9369627) is 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN[C@@H](C)c1ccc(F)cc1F.
What is the InChIKey of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide?
The InChIKey is LAXREZRMVRACGN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-11-5-3-4-6-16(11)21-17(22)10-20-12(2)14-8-7-13(18)9-15(14)19/h3-9,12,20H,10H2,1-2H3,(H,21,22)/t12-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide?
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide has a molecular weight of 304.34 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 9369627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).