2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide

C19H22F2N2O — CID 95624398

IUPAC2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H22F2N2O/c1-12(2)22-19(24)10-14-4-7-16(8-5-14)23-13(3)15-6-9-17(20)18(21)11-15/h4-9,11-13,23H,10H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyUAALFLMIMGCFCC-CYBMUJFWSA-N
MW332.39 g/mol
LogP4.20
Rot. Bonds6

About 2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide

2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide (PubChem CID 95624398) has the molecular formula C19H22F2N2O and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide
PubChem CID95624398
Molecular FormulaC19H22F2N2O
Molecular Weight332.39 g/mol
Exact Mass332.17
IUPAC Name2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H22F2N2O/c1-12(2)22-19(24)10-14-4-7-16(8-5-14)23-13(3)15-6-9-17(20)18(21)11-15/h4-9,11-13,23H,10H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyUAALFLMIMGCFCC-CYBMUJFWSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 78808643
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 18084334
5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46491324
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
N-(3,4-difluorophenyl)-N'-propan-2-ylpropanediamide
CID 108940959
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea
CID 112825000
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 78778244

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide (CID 95624398) is 2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide?
The InChIKey is UAALFLMIMGCFCC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22F2N2O/c1-12(2)22-19(24)10-14-4-7-16(8-5-14)23-13(3)15-6-9-17(20)18(21)11-15/h4-9,11-13,23H,10H2,1-3H3,(H,22,24)/t13-/m1/s1.
What are the key properties of 2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide?
2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide has a molecular weight of 332.39 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 95624398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).