(2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide

C19H21FN2O2 — CID 100568060

IUPAC(2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1F
InChIInChI=1S/C19H21FN2O2/c1-14(19(24)21-2)22(13-15-8-4-3-5-9-15)18(23)12-16-10-6-7-11-17(16)20/h3-11,14H,12-13H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyCEFVIODSUBTBNA-AWEZNQCLSA-N
MW328.39 g/mol
LogP2.53
Rot. Bonds6

About (2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide

(2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide (PubChem CID 100568060) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is (2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide
PubChem CID100568060
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name(2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1F
InChIInChI=1S/C19H21FN2O2/c1-14(19(24)21-2)22(13-15-8-4-3-5-9-15)18(23)12-16-10-6-7-11-17(16)20/h3-11,14H,12-13H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyCEFVIODSUBTBNA-AWEZNQCLSA-N
XLogP2.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide
CID 132651314
(2S)-2-[[2-(2-fluorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 100633860
2-[[2-(2-fluorophenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132652351
(2R)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-[(2S)-butan-2-yl]propanamide
CID 100523888
(2R)-2-[benzyl-[2-(4-chlorophenyl)acetyl]amino]-N-methylpropanamide
CID 100565411
2-[[2-(2-chlorophenyl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-methylpropanamide
CID 132761877
(2S)-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylpropanamide
CID 100683617
2-[(4-bromophenyl)methyl-(2-phenylacetyl)amino]-N-methylpropanamide
CID 132763037
(2R)-2-[benzyl-[2-(3,5-dimethylphenyl)acetyl]amino]-N-methylpropanamide
CID 100568029
N-butyl-2-[[2-(2-fluorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132703784
N-butyl-2-[(4-chlorophenyl)methyl-[2-(2-fluorophenyl)acetyl]amino]propanamide
CID 132706192
2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide
CID 132656904

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide?
The IUPAC name of (2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide (CID 100568060) is (2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide?
The canonical SMILES for (2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide is CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1F.
What is the InChIKey of (2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide?
The InChIKey is CEFVIODSUBTBNA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-14(19(24)21-2)22(13-15-8-4-3-5-9-15)18(23)12-16-10-6-7-11-17(16)20/h3-11,14H,12-13H2,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide?
(2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide has a molecular weight of 328.39 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl-[2-(2-fluorophenyl)acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 100568060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).