5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide

C19H22FN3O2 — CID 95255161

IUPAC5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide
SMILESCc1ccc(N[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1C(N)=O
InChIInChI=1S/C19H22FN3O2/c1-12-7-8-16(10-17(12)18(21)24)22-13(2)19(25)23(3)11-14-5-4-6-15(20)9-14/h4-10,13,22H,11H2,1-3H3,(H2,21,24)/t13-/m0/s1
InChIKeyIZCGOKGPTLDEHD-ZDUSSCGKSA-N
MW343.40 g/mol
LogP2.69
Rot. Bonds6

About 5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide

5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide (PubChem CID 95255161) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide
PubChem CID95255161
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide
SMILESCc1ccc(N[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1C(N)=O
InChIInChI=1S/C19H22FN3O2/c1-12-7-8-16(10-17(12)18(21)24)22-13(2)19(25)23(3)11-14-5-4-6-15(20)9-14/h4-10,13,22H,11H2,1-3H3,(H2,21,24)/t13-/m0/s1
InChIKeyIZCGOKGPTLDEHD-ZDUSSCGKSA-N
XLogP2.69
TPSA75.43 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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylanilino)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 134030730
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 134039310
N-[(3-fluorophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyanilino)propanamide
CID 134031135
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
3-[[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911679
5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-2-methylbenzamide
CID 95624643
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide
CID 112811066
2-amino-3-[(3-fluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179409
methyl 2-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]sulfanylpropanoate
CID 78842851
4-[2-[(3-fluorophenyl)methyl-methylamino]propanoylamino]benzamide
CID 17424193

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide?
The IUPAC name of 5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide (CID 95255161) is 5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide.
What is the SMILES notation for 5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide?
The canonical SMILES for 5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide is Cc1ccc(N[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)cc1C(N)=O.
What is the InChIKey of 5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide?
The InChIKey is IZCGOKGPTLDEHD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-12-7-8-16(10-17(12)18(21)24)22-13(2)19(25)23(3)11-14-5-4-6-15(20)9-14/h4-10,13,22H,11H2,1-3H3,(H2,21,24)/t13-/m0/s1.
What are the key properties of 5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide?
5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide has a molecular weight of 343.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]amino]-2-methylbenzamide is sourced from PubChem (CID 95255161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).