2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide

C20H23FN2O — CID 31996146

IUPAC2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide
SMILESC[C@@H](C1CC1)N(CC(=O)Nc1cccc(F)c1)Cc1ccccc1
InChIInChI=1S/C20H23FN2O/c1-15(17-10-11-17)23(13-16-6-3-2-4-7-16)14-20(24)22-19-9-5-8-18(21)12-19/h2-9,12,15,17H,10-11,13-14H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyGMPZXMGBSODXDZ-HNNXBMFYSA-N
MW326.42 g/mol
LogP4.06
Rot. Bonds7

About 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide

2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide (PubChem CID 31996146) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide
PubChem CID31996146
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide
SMILESC[C@@H](C1CC1)N(CC(=O)Nc1cccc(F)c1)Cc1ccccc1
InChIInChI=1S/C20H23FN2O/c1-15(17-10-11-17)23(13-16-6-3-2-4-7-16)14-20(24)22-19-9-5-8-18(21)12-19/h2-9,12,15,17H,10-11,13-14H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyGMPZXMGBSODXDZ-HNNXBMFYSA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide
CID 55444967
2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 46402667
2-[[2-(3-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838270
N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide
CID 46402737
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 31995742
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 31996292
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[2-aminoethyl(propan-2-yl)amino]-N-(3-fluorophenyl)acetamide
CID 61351246
2-[benzyl(propan-2-yl)amino]-N-(3-methylsulfonylphenyl)acetamide
CID 24582092
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]amino]acetamide
CID 18078875

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide (CID 31996146) is 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide is C[C@@H](C1CC1)N(CC(=O)Nc1cccc(F)c1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide?
The InChIKey is GMPZXMGBSODXDZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-15(17-10-11-17)23(13-16-6-3-2-4-7-16)14-20(24)22-19-9-5-8-18(21)12-19/h2-9,12,15,17H,10-11,13-14H2,1H3,(H,22,24)/t15-/m0/s1.
What are the key properties of 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide?
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 31996146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).