5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide

C19H22FN3O2 — CID 96533531

IUPAC5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)N(C)C)ccc1F
InChIInChI=1S/C19H22FN3O2/c1-21-18(24)15-12-14(9-10-16(15)20)22-19(25)17(23(2)3)11-13-7-5-4-6-8-13/h4-10,12,17H,11H2,1-3H3,(H,21,24)(H,22,25)/t17-/m0/s1
InChIKeyWFYOWDNZOGMYDX-KRWDZBQOSA-N
MW343.40 g/mol
LogP2.30
Rot. Bonds6

About 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide

5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide (PubChem CID 96533531) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide
PubChem CID96533531
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)N(C)C)ccc1F
InChIInChI=1S/C19H22FN3O2/c1-21-18(24)15-12-14(9-10-16(15)20)22-19(25)17(23(2)3)11-13-7-5-4-6-8-13/h4-10,12,17H,11H2,1-3H3,(H,21,24)(H,22,25)/t17-/m0/s1
InChIKeyWFYOWDNZOGMYDX-KRWDZBQOSA-N
XLogP2.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-methyl-5-(1-phenylethylcarbamoylamino)benzamide
CID 49285531
5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
CID 49285829
2-fluoro-N-methyl-5-(3-methylbut-2-enylcarbamoylamino)benzamide
CID 100616994
2-fluoro-5-[2-(2-fluorophenyl)ethylcarbamoylamino]-N-methylbenzamide
CID 49285859
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
CID 78917568
5-[2-(cyclopropylmethoxy)propanoylamino]-2-fluoro-N-methylbenzamide
CID 49176640
5-[2-(2-ethoxyethoxy)propanoylamino]-2-fluoro-N-methylbenzamide
CID 49176751
5-[[[4-(difluoromethoxy)phenyl]methyl-methylcarbamoyl]amino]-2-fluoro-N-methylbenzamide
CID 49285325
2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide
CID 49285412
(2R)-2-[benzyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 9274686
N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide
CID 4534125
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 133215029

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide (CID 96533531) is 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide is CNC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)N(C)C)ccc1F.
What is the InChIKey of 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide?
The InChIKey is WFYOWDNZOGMYDX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-21-18(24)15-12-14(9-10-16(15)20)22-19(25)17(23(2)3)11-13-7-5-4-6-8-13/h4-10,12,17H,11H2,1-3H3,(H,21,24)(H,22,25)/t17-/m0/s1.
What are the key properties of 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide?
5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide has a molecular weight of 343.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 96533531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).