N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-fluorophenyl]propanamide

C19H22FNO2 — CID 126515974

IUPACN-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-fluorophenyl]propanamide
SMILESCCC(=O)Nc1c(F)cccc1COc1ccc(CC)cc1C
InChIInChI=1S/C19H22FNO2/c1-4-14-9-10-17(13(3)11-14)23-12-15-7-6-8-16(20)19(15)21-18(22)5-2/h6-11H,4-5,12H2,1-3H3,(H,21,22)
InChIKeyZHFJQPCDAPWBGA-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.62
Rot. Bonds6

About N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-fluorophenyl]propanamide

N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-fluorophenyl]propanamide (PubChem CID 126515974) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-fluorophenyl]propanamide.

Molecular Properties

Compound NameN-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-fluorophenyl]propanamide
PubChem CID126515974
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC NameN-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-fluorophenyl]propanamide
SMILESCCC(=O)Nc1c(F)cccc1COc1ccc(CC)cc1C
InChIInChI=1S/C19H22FNO2/c1-4-14-9-10-17(13(3)11-14)23-12-15-7-6-8-16(20)19(15)21-18(22)5-2/h6-11H,4-5,12H2,1-3H3,(H,21,22)
InChIKeyZHFJQPCDAPWBGA-UHFFFAOYSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-1H-quinolin-2-one
CID 672272
Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-diethylphenyl)-2-methyl-
CID 3072806
Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-methyl-
CID 3072807
Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-fluoro-
CID 3072809
Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-(trifluoromethyl)-
CID 3072811
6-(5-Fluoro-2-methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)ethyl]-1,2-dihydroquinoline
CID 10384345
N-(4-methylphenyl)-3-phenoxypropanamide
CID 725622
N-(2,4-dimethylphenyl)-3-phenoxypropanamide
CID 725623
N-(2,6-dimethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 872422
N-[3-Benzyl-4-(3-isopropylamino-propoxy)-phenyl]-propionamide
CID 10316137
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
N-(2-ethylphenyl)-3-phenoxypropanamide
CID 725624

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-fluorophenyl]propanamide?
The IUPAC name of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-fluorophenyl]propanamide (CID 126515974) is N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-fluorophenyl]propanamide.
What is the SMILES notation for N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-fluorophenyl]propanamide?
The canonical SMILES for N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-fluorophenyl]propanamide is CCC(=O)Nc1c(F)cccc1COc1ccc(CC)cc1C.
What is the InChIKey of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-fluorophenyl]propanamide?
The InChIKey is ZHFJQPCDAPWBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-4-14-9-10-17(13(3)11-14)23-12-15-7-6-8-16(20)19(15)21-18(22)5-2/h6-11H,4-5,12H2,1-3H3,(H,21,22).
What are the key properties of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-fluorophenyl]propanamide?
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-fluorophenyl]propanamide has a molecular weight of 315.39 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethyl-2-methylphenoxy)methyl]-6-fluorophenyl]propanamide is sourced from PubChem (CID 126515974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).