2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide

C16H15ClF2N2O — CID 9335587

IUPAC2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESC[C@@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClF2N2O/c1-10(11-2-4-12(17)5-3-11)20-9-16(22)21-13-6-7-14(18)15(19)8-13/h2-8,10,20H,9H2,1H3,(H,21,22)/t10-/m1/s1
InChIKeyWZFYKZUSENTCOH-SNVBAGLBSA-N
MW324.76 g/mol
LogP3.91
Rot. Bonds5

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

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 9335587) has the molecular formula C16H15ClF2N2O and a molecular weight of 324.76 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
PubChem CID9335587
Molecular FormulaC16H15ClF2N2O
Molecular Weight324.76 g/mol
Exact Mass324.08
IUPAC Name2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESC[C@@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClF2N2O/c1-10(11-2-4-12(17)5-3-11)20-9-16(22)21-13-6-7-14(18)15(19)8-13/h2-8,10,20H,9H2,1H3,(H,21,22)/t10-/m1/s1
InChIKeyWZFYKZUSENTCOH-SNVBAGLBSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 9336360
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 32705841
N-(4-chlorophenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410060
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 9306767
N-(4-tert-butylphenyl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376286
N-(4-chloro-2-fluorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336002
N-(4-acetylphenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336102
N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347088
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9335614

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide (CID 9335587) is 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide is C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is WZFYKZUSENTCOH-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15ClF2N2O/c1-10(11-2-4-12(17)5-3-11)20-9-16(22)21-13-6-7-14(18)15(19)8-13/h2-8,10,20H,9H2,1H3,(H,21,22)/t10-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide?
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 324.76 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 9335587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).