N-(3-chloro-4-fluorophenyl)-3-(3-methylphenoxy)propanamide

C16H15ClFNO2 — CID 2088422

IUPACN-(3-chloro-4-fluorophenyl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H15ClFNO2/c1-11-3-2-4-13(9-11)21-8-7-16(20)19-12-5-6-15(18)14(17)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeySEUIRYRMTDQOJA-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.20
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-3-(3-methylphenoxy)propanamide

N-(3-chloro-4-fluorophenyl)-3-(3-methylphenoxy)propanamide (PubChem CID 2088422) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(3-methylphenoxy)propanamide
PubChem CID2088422
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H15ClFNO2/c1-11-3-2-4-13(9-11)21-8-7-16(20)19-12-5-6-15(18)14(17)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeySEUIRYRMTDQOJA-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724205
N-(4-methylphenyl)-3-phenoxypropanamide
CID 725622
N-(3-Chlorophenyl)-3-(4-methoxyphenyl)propanamide
CID 903519
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
N-(2-ethylphenyl)-3-phenoxypropanamide
CID 725624
N-(3-fluoro-4-methylphenyl)-3-(2-methylphenoxy)propanamide
CID 808409
N-(2-fluoro-5-methylphenyl)-3-(2-methylphenoxy)propanamide
CID 808417
N-(5-fluoro-2-methylphenyl)-3-phenoxypropanamide
CID 2527795
N-(3-chlorophenyl)-6-methoxy-2-oxo-2H-chromene-3-carboxamide
CID 740329
N-(4-chlorophenyl)-2H-chromene-3-carboxamide
CID 1475940
(2S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
CID 10315765
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
CID 11741199

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(3-methylphenoxy)propanamide (CID 2088422) is N-(3-chloro-4-fluorophenyl)-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(3-methylphenoxy)propanamide?
The InChIKey is SEUIRYRMTDQOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-11-3-2-4-13(9-11)21-8-7-16(20)19-12-5-6-15(18)14(17)10-12/h2-6,9-10H,7-8H2,1H3,(H,19,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(3-methylphenoxy)propanamide?
N-(3-chloro-4-fluorophenyl)-3-(3-methylphenoxy)propanamide has a molecular weight of 307.75 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 2088422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).