N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide

C22H21FN2O — CID 9393342

IUPACN-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
SMILESCc1ccc([C@@H](NCC(=O)Nc2cccc(F)c2)c2ccccc2)cc1
InChIInChI=1S/C22H21FN2O/c1-16-10-12-18(13-11-16)22(17-6-3-2-4-7-17)24-15-21(26)25-20-9-5-8-19(23)14-20/h2-14,22,24H,15H2,1H3,(H,25,26)/t22-/m0/s1
InChIKeyJZQPWLHRWHXLLZ-QFIPXVFZSA-N
MW348.42 g/mol
LogP4.45
Rot. Bonds6

About N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide

N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide (PubChem CID 9393342) has the molecular formula C22H21FN2O and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
PubChem CID9393342
Molecular FormulaC22H21FN2O
Molecular Weight348.42 g/mol
Exact Mass348.16
IUPAC NameN-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
SMILESCc1ccc([C@@H](NCC(=O)Nc2cccc(F)c2)c2ccccc2)cc1
InChIInChI=1S/C22H21FN2O/c1-16-10-12-18(13-11-16)22(17-6-3-2-4-7-17)24-15-21(26)25-20-9-5-8-19(23)14-20/h2-14,22,24H,15H2,1H3,(H,25,26)/t22-/m0/s1
InChIKeyJZQPWLHRWHXLLZ-QFIPXVFZSA-N
XLogP4.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
N-(2,5-difluorophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393367
N-(2,6-difluorophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392689
(2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide
CID 9445795
N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393022
N-(4-acetamidophenyl)-2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8719979
methyl 4-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate
CID 9392902
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 9336360
N-(3,4-diethoxyphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]amino]acetamide
CID 60537379
N-(1,3-benzodioxol-5-yl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8719944
2-hydroxy-N-[3-[[(4-methylphenyl)-phenylmethyl]amino]phenyl]acetamide
CID 110011552

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide (CID 9393342) is N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide is Cc1ccc([C@@H](NCC(=O)Nc2cccc(F)c2)c2ccccc2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The InChIKey is JZQPWLHRWHXLLZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H21FN2O/c1-16-10-12-18(13-11-16)22(17-6-3-2-4-7-17)24-15-21(26)25-20-9-5-8-19(23)14-20/h2-14,22,24H,15H2,1H3,(H,25,26)/t22-/m0/s1.
What are the key properties of N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide has a molecular weight of 348.42 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide is sourced from PubChem (CID 9393342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).