N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide

C19H21FN2O2 — CID 26752505

IUPACN-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)CNC(=O)c2ccccc2F)c1
InChIInChI=1S/C19H21FN2O2/c1-12-8-9-13(2)16(10-12)14(3)22-18(23)11-21-19(24)15-6-4-5-7-17(15)20/h4-10,14H,11H2,1-3H3,(H,21,24)(H,22,23)/t14-/m1/s1
InChIKeyNTHRRKIDNSOIBC-CQSZACIVSA-N
MW328.39 g/mol
LogP3.05
Rot. Bonds5

About N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide

N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 26752505) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
PubChem CID26752505
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)CNC(=O)c2ccccc2F)c1
InChIInChI=1S/C19H21FN2O2/c1-12-8-9-13(2)16(10-12)14(3)22-18(23)11-21-19(24)15-6-4-5-7-17(15)20/h4-10,14H,11H2,1-3H3,(H,21,24)(H,22,23)/t14-/m1/s1
InChIKeyNTHRRKIDNSOIBC-CQSZACIVSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9441430
2,4-difluoro-N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 24594478
N-[1-(2,5-dimethylphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 132651519
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 9432088
N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide
CID 16560846
2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide
CID 61247074
2-fluoro-N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 17406382
N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 41037701
2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]butanoic acid
CID 43387751
2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 79770895

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide (CID 26752505) is N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide is Cc1ccc(C)c([C@@H](C)NC(=O)CNC(=O)c2ccccc2F)c1.
What is the InChIKey of N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is NTHRRKIDNSOIBC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-12-8-9-13(2)16(10-12)14(3)22-18(23)11-21-19(24)15-6-4-5-7-17(15)20/h4-10,14H,11H2,1-3H3,(H,21,24)(H,22,23)/t14-/m1/s1.
What are the key properties of N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 328.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 26752505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).