2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide

C17H18F2N2O2 — CID 9376391

IUPAC2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H18F2N2O2/c1-11(12-3-8-15(18)16(19)9-12)20-10-17(22)21-13-4-6-14(23-2)7-5-13/h3-9,11,20H,10H2,1-2H3,(H,21,22)/t11-/m0/s1
InChIKeyPNLHLOXDTIIVRG-NSHDSACASA-N
MW320.34 g/mol
LogP3.26
Rot. Bonds6

About 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide

2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide (PubChem CID 9376391) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
PubChem CID9376391
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN[C@@H](C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H18F2N2O2/c1-11(12-3-8-15(18)16(19)9-12)20-10-17(22)21-13-4-6-14(23-2)7-5-13/h3-9,11,20H,10H2,1-2H3,(H,21,22)/t11-/m0/s1
InChIKeyPNLHLOXDTIIVRG-NSHDSACASA-N
XLogP3.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9335614
N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376286
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463
2-[1-(3,4-difluorophenyl)ethylamino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 17405097
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9335587
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
N-(1,3-benzodioxol-5-yl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376473
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(4-methoxyphenyl)thiourea
CID 8656099
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81354995

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide (CID 9376391) is 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN[C@@H](C)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is PNLHLOXDTIIVRG-NSHDSACASA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-11(12-3-8-15(18)16(19)9-12)20-10-17(22)21-13-4-6-14(23-2)7-5-13/h3-9,11,20H,10H2,1-2H3,(H,21,22)/t11-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide?
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 320.34 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9376391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).