2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide

C22H21ClN2O2 — CID 133211166

IUPAC2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C22H21ClN2O2/c1-2-21(27-20-9-5-18(23)6-10-20)22(26)25-19-7-3-16(4-8-19)15-17-11-13-24-14-12-17/h3-14,21H,2,15H2,1H3,(H,25,26)
InChIKeyRJOMFDKRRBFTFT-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.12
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide

2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide (PubChem CID 133211166) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
PubChem CID133211166
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C22H21ClN2O2/c1-2-21(27-20-9-5-18(23)6-10-20)22(26)25-19-7-3-16(4-8-19)15-17-11-13-24-14-12-17/h3-14,21H,2,15H2,1H3,(H,25,26)
InChIKeyRJOMFDKRRBFTFT-UHFFFAOYSA-N
XLogP5.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 92534595
2-(3-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide
CID 133239925
(2S)-2-(4-chlorophenoxy)-N-(pyridin-4-ylmethyl)butanamide
CID 7450116
2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
CID 53285318
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300
(2S)-N-(4-bromo-3-chlorophenyl)-2-(4-chlorophenoxy)butanamide
CID 9173008
N-(4-ethylphenyl)-2-(4-methylphenoxy)butanamide
CID 53286287
(2R)-2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 40742408
(2R)-2-(4-chlorophenoxy)-N-[4-(diethylsulfamoyl)phenyl]butanamide
CID 9179706
2-(4-chlorophenoxy)-N-pyridin-4-ylpropanamide
CID 51193889
(2S)-N-(3-chloro-4-fluorophenyl)-2-phenoxybutanamide
CID 673599
(2R)-2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 42082581

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide (CID 133211166) is 2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide is CCC(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide?
The InChIKey is RJOMFDKRRBFTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-2-21(27-20-9-5-18(23)6-10-20)22(26)25-19-7-3-16(4-8-19)15-17-11-13-24-14-12-17/h3-14,21H,2,15H2,1H3,(H,25,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide?
2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide has a molecular weight of 380.88 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 133211166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).