N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide

C23H22FNO — CID 42935777

IUPACN-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide
SMILESCN(C(=O)CCc1ccccc1)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H22FNO/c1-25(22(26)17-12-18-8-4-2-5-9-18)23(19-10-6-3-7-11-19)20-13-15-21(24)16-14-20/h2-11,13-16,23H,12,17H2,1H3
InChIKeyDECBTTKMZOINCN-UHFFFAOYSA-N
MW347.43 g/mol
LogP5.01
Rot. Bonds6

About N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide

N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide (PubChem CID 42935777) has the molecular formula C23H22FNO and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide
PubChem CID42935777
Molecular FormulaC23H22FNO
Molecular Weight347.43 g/mol
Exact Mass347.17
IUPAC NameN-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide
SMILESCN(C(=O)CCc1ccccc1)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H22FNO/c1-25(22(26)17-12-18-8-4-2-5-9-18)23(19-10-6-3-7-11-19)20-13-15-21(24)16-14-20/h2-11,13-16,23H,12,17H2,1H3
InChIKeyDECBTTKMZOINCN-UHFFFAOYSA-N
XLogP5.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.43
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 46546176
2-[methyl(3-phenylpropanoyl)amino]propanoic acid
CID 62626349
N-[bis(4-fluorophenyl)methyl]-N-methylacetamide
CID 22660932
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 18103199
N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 133238256
N-methyl-3-phenyl-N-[(S)-phenyl(pyrrolidin-1-yl)methyl]propanamide;propane
CID 158890977
N-[(4-fluorophenyl)methyl]-N-[2-(3-methylbutylamino)-2-oxo-1-phenylethyl]-3-phenylpropanamide
CID 133238286
N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide
CID 2103734
3-(2-aminophenyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608425
1-[4-(dimethylamino)-4-(4-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 166689549
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649
3-(4-fluorophenyl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 9471332

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide (CID 42935777) is N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide is CN(C(=O)CCc1ccccc1)C(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide?
The InChIKey is DECBTTKMZOINCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO/c1-25(22(26)17-12-18-8-4-2-5-9-18)23(19-10-6-3-7-11-19)20-13-15-21(24)16-14-20/h2-11,13-16,23H,12,17H2,1H3.
What are the key properties of N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide?
N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide has a molecular weight of 347.43 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 42935777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).