N-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide

C21H25FN2O2 — CID 35613306

IUPACN-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C(=O)NCCc2ccccc2F)C(C)C)cc1
InChIInChI=1S/C21H25FN2O2/c1-14(2)19(24-20(25)17-10-8-15(3)9-11-17)21(26)23-13-12-16-6-4-5-7-18(16)22/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKeyMGITWXGZABASRX-IBGZPJMESA-N
MW356.44 g/mol
LogP3.25
Rot. Bonds7

About N-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide

N-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide (PubChem CID 35613306) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
PubChem CID35613306
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C(=O)NCCc2ccccc2F)C(C)C)cc1
InChIInChI=1S/C21H25FN2O2/c1-14(2)19(24-20(25)17-10-8-15(3)9-11-17)21(26)23-13-12-16-6-4-5-7-18(16)22/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKeyMGITWXGZABASRX-IBGZPJMESA-N
XLogP3.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide 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

2-fluoro-N-[1-[2-(2-methoxy-5-methylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 74617762
N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride
CID 119548129
N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 119506026
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 3911653
N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4801412
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 51143667
4-chloro-N-[1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 74645871
N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4266807
4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide
CID 166317910
4-fluoro-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 119431360
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 8636623
4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157888

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The IUPAC name of N-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide (CID 35613306) is N-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@H](C(=O)NCCc2ccccc2F)C(C)C)cc1.
What is the InChIKey of N-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The InChIKey is MGITWXGZABASRX-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-14(2)19(24-20(25)17-10-8-15(3)9-11-17)21(26)23-13-12-16-6-4-5-7-18(16)22/h4-11,14,19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
N-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide has a molecular weight of 356.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(2-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 35613306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).