4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide

C19H22FNO — CID 95795806

IUPAC4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO/c1-13(14-7-11-17(20)12-8-14)21-18(22)15-5-9-16(10-6-15)19(2,3)4/h5-13H,1-4H3,(H,21,22)/t13-/m0/s1
InChIKeyIKGQNLDTLUJVQK-ZDUSSCGKSA-N
MW299.39 g/mol
LogP4.61
Rot. Bonds3

About 4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide

4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 95795806) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
PubChem CID95795806
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO/c1-13(14-7-11-17(20)12-8-14)21-18(22)15-5-9-16(10-6-15)19(2,3)4/h5-13H,1-4H3,(H,21,22)/t13-/m0/s1
InChIKeyIKGQNLDTLUJVQK-ZDUSSCGKSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
N-[1-(4-tert-butylphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 133225143
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
4-(difluoromethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 24617681
N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 17435884
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
CID 51537719
[(1S)-1-(4-fluorophenyl)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 7565239

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide (CID 95795806) is 4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide is C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is IKGQNLDTLUJVQK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22FNO/c1-13(14-7-11-17(20)12-8-14)21-18(22)15-5-9-16(10-6-15)19(2,3)4/h5-13H,1-4H3,(H,21,22)/t13-/m0/s1.
What are the key properties of 4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide?
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 299.39 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 95795806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).