N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide

C20H24FN3O2 — CID 97150151

IUPACN-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide
SMILESCc1cccc([C@@H](C(=O)NCCNC(=O)c2ccc(F)cc2)N(C)C)c1
InChIInChI=1S/C20H24FN3O2/c1-14-5-4-6-16(13-14)18(24(2)3)20(26)23-12-11-22-19(25)15-7-9-17(21)10-8-15/h4-10,13,18H,11-12H2,1-3H3,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyOQEKLBWXQPWKTP-SFHVURJKSA-N
MW357.43 g/mol
LogP2.28
Rot. Bonds7

About N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide

N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide (PubChem CID 97150151) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide
PubChem CID97150151
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide
SMILESCc1cccc([C@@H](C(=O)NCCNC(=O)c2ccc(F)cc2)N(C)C)c1
InChIInChI=1S/C20H24FN3O2/c1-14-5-4-6-16(13-14)18(24(2)3)20(26)23-12-11-22-19(25)15-7-9-17(21)10-8-15/h4-10,13,18H,11-12H2,1-3H3,(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyOQEKLBWXQPWKTP-SFHVURJKSA-N
XLogP2.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 72858955
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3-methylbenzamide
CID 108538687
(2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide
CID 97200777
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide
CID 97193939
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 95119560
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
CID 97186982
3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108573755
(3-methylphenyl) 2-[(4-fluorobenzoyl)amino]acetate
CID 110670410
4-[[2-(dimethylamino)-2-(3-fluorophenyl)acetyl]amino]-N,N-dimethylbutanamide
CID 72849600
(2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide
CID 97206308

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide (CID 97150151) is N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide is Cc1cccc([C@@H](C(=O)NCCNC(=O)c2ccc(F)cc2)N(C)C)c1.
What is the InChIKey of N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide?
The InChIKey is OQEKLBWXQPWKTP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-14-5-4-6-16(13-14)18(24(2)3)20(26)23-12-11-22-19(25)15-7-9-17(21)10-8-15/h4-10,13,18H,11-12H2,1-3H3,(H,22,25)(H,23,26)/t18-/m0/s1.
What are the key properties of N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide?
N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide has a molecular weight of 357.43 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 97150151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).