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

C17H18F2N2O2 — CID 9369939

IUPAC2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN[C@@H](C)c1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O2/c1-11(13-8-7-12(18)9-14(13)19)20-10-17(22)21-15-5-3-4-6-16(15)23-2/h3-9,11,20H,10H2,1-2H3,(H,21,22)/t11-/m0/s1
InChIKeyNTRHKHIWKCTCNW-NSHDSACASA-N
MW320.34 g/mol
LogP3.26
Rot. Bonds6

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

2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide (PubChem CID 9369939) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
PubChem CID9369939
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN[C@@H](C)c1ccc(F)cc1F
InChIInChI=1S/C17H18F2N2O2/c1-11(13-8-7-12(18)9-14(13)19)20-10-17(22)21-15-5-3-4-6-16(15)23-2/h3-9,11,20H,10H2,1-2H3,(H,21,22)/t11-/m0/s1
InChIKeyNTRHKHIWKCTCNW-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-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide
CID 9369657
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9369627
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9377633
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 42914238
2-[1-(2,4-dichlorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 84964111
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815
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-(2-methoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397269
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 9369894
N-(5-acetamido-2-methoxyphenyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18088438
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369741

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide (CID 9369939) is 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN[C@@H](C)c1ccc(F)cc1F.
What is the InChIKey of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is NTRHKHIWKCTCNW-NSHDSACASA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-11(13-8-7-12(18)9-14(13)19)20-10-17(22)21-15-5-3-4-6-16(15)23-2/h3-9,11,20H,10H2,1-2H3,(H,21,22)/t11-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide?
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-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-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 9369939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).