3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide

C22H20ClFN2O2 — CID 55880579

IUPAC3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
SMILESCN(C(=O)CCOc1ccc(F)cc1Cl)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C22H20ClFN2O2/c1-26(21(27)12-14-28-20-11-10-17(24)15-18(20)23)22(16-7-3-2-4-8-16)19-9-5-6-13-25-19/h2-11,13,15,22H,12,14H2,1H3
InChIKeySEOCGSJXVBMCJI-UHFFFAOYSA-N
MW398.87 g/mol
LogP4.89
Rot. Bonds7

About 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide

3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide (PubChem CID 55880579) has the molecular formula C22H20ClFN2O2 and a molecular weight of 398.87 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
PubChem CID55880579
Molecular FormulaC22H20ClFN2O2
Molecular Weight398.87 g/mol
Exact Mass398.12
IUPAC Name3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
SMILESCN(C(=O)CCOc1ccc(F)cc1Cl)C(c1ccccc1)c1ccccn1
InChIInChI=1S/C22H20ClFN2O2/c1-26(21(27)12-14-28-20-11-10-17(24)15-18(20)23)22(16-7-3-2-4-8-16)19-9-5-6-13-25-19/h2-11,13,15,22H,12,14H2,1H3
InChIKeySEOCGSJXVBMCJI-UHFFFAOYSA-N
XLogP4.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-2-methylphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55768262
4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55767816
4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide
CID 52524823
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332
N-[(2-bromophenyl)methyl]-3-(2-chloro-4-fluorophenoxy)-N-methylpropanamide
CID 55770838
2-(cyclopropylmethoxy)-N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylacetamide
CID 95282605
1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea
CID 95150596
N-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 121413115
N-[2-(2-chlorophenoxy)ethyl]-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 121413065
3-(2-chloro-4-fluorophenoxy)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 55772529
2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]propanoic acid
CID 55097258
3-(2-chloro-4-fluorophenoxy)-N-(1-pyridin-4-ylethyl)propanamide
CID 87000643

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide (CID 55880579) is 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide is CN(C(=O)CCOc1ccc(F)cc1Cl)C(c1ccccc1)c1ccccn1.
What is the InChIKey of 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide?
The InChIKey is SEOCGSJXVBMCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O2/c1-26(21(27)12-14-28-20-11-10-17(24)15-18(20)23)22(16-7-3-2-4-8-16)19-9-5-6-13-25-19/h2-11,13,15,22H,12,14H2,1H3.
What are the key properties of 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide?
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide has a molecular weight of 398.87 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]propanamide is sourced from PubChem (CID 55880579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).