N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide

C18H20FNO2 — CID 78770345

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)N(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO2/c1-13-4-10-17(11-5-13)22-14(2)18(21)20(3)12-15-6-8-16(19)9-7-15/h4-11,14H,12H2,1-3H3
InChIKeyHSLCYRNULSBZOK-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.56
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide

N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide (PubChem CID 78770345) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
PubChem CID78770345
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(OC(C)C(=O)N(C)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO2/c1-13-4-10-17(11-5-13)22-14(2)18(21)20(3)12-15-6-8-16(19)9-7-15/h4-11,14H,12H2,1-3H3
InChIKeyHSLCYRNULSBZOK-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 31147863
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 43905077
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
CID 115587549
N-[(4-bromothiophen-2-yl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 47042167
5-[[2-(4-fluorophenoxy)propanoyl-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221714
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155118
2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 55575443
N-methyl-2-(3-methylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791754
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119268141
3-chloro-N,2-dimethyl-N-[(4-methylphenyl)methyl]propanamide
CID 62726574

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide (CID 78770345) is N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide is Cc1ccc(OC(C)C(=O)N(C)Cc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide?
The InChIKey is HSLCYRNULSBZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-13-4-10-17(11-5-13)22-14(2)18(21)20(3)12-15-6-8-16(19)9-7-15/h4-11,14H,12H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide has a molecular weight of 301.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 78770345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).