N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide

C20H25FN2O — CID 9252027

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-4-15(2)18-7-5-6-8-19(18)22-20(24)14-23(3)13-16-9-11-17(21)12-10-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyHICMSJWJIJOUSU-HNNXBMFYSA-N
MW328.43 g/mol
LogP4.41
Rot. Bonds7

About N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide

N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 9252027) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
PubChem CID9252027
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O/c1-4-15(2)18-7-5-6-8-19(18)22-20(24)14-23(3)13-16-9-11-17(21)12-10-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyHICMSJWJIJOUSU-HNNXBMFYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 9221610
4-[[[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003259
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 1122525
2-[[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 9250691
(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9252915
1-(2-butan-2-ylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867733
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
2-[[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038968
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
N-(2-methylphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028527
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
N-(2,6-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2451655

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide (CID 9252027) is N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide is CC[C@H](C)c1ccccc1NC(=O)CN(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is HICMSJWJIJOUSU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25FN2O/c1-4-15(2)18-7-5-6-8-19(18)22-20(24)14-23(3)13-16-9-11-17(21)12-10-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)/t15-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide?
N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 328.43 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9252027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).