N-[3-chloro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide

C23H23ClN2O2 — CID 162660886

IUPACN-[3-chloro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide
SMILESCc1ccc(C(C)C)cc1Oc1ccc(NC(=O)Cc2cccnc2)cc1Cl
InChIInChI=1S/C23H23ClN2O2/c1-15(2)18-7-6-16(3)22(12-18)28-21-9-8-19(13-20(21)24)26-23(27)11-17-5-4-10-25-14-17/h4-10,12-15H,11H2,1-3H3,(H,26,27)
InChIKeyWMIDDEZRIJZIMC-UHFFFAOYSA-N
MW394.90 g/mol
LogP6.14
Rot. Bonds6

About N-[3-chloro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide

N-[3-chloro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide (PubChem CID 162660886) has the molecular formula C23H23ClN2O2 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide
PubChem CID162660886
Molecular FormulaC23H23ClN2O2
Molecular Weight394.90 g/mol
Exact Mass394.14
IUPAC NameN-[3-chloro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide
SMILESCc1ccc(C(C)C)cc1Oc1ccc(NC(=O)Cc2cccnc2)cc1Cl
InChIInChI=1S/C23H23ClN2O2/c1-15(2)18-7-6-16(3)22(12-18)28-21-9-8-19(13-20(21)24)26-23(27)11-17-5-4-10-25-14-17/h4-10,12-15H,11H2,1-3H3,(H,26,27)
InChIKeyWMIDDEZRIJZIMC-UHFFFAOYSA-N
XLogP6.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[methyl-[(1S)-1-pyridin-3-ylethyl]amino]acetamide
CID 97089206
2-(2-methoxy-5-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110767628
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113163672
1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea
CID 125177918
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 2978975
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 109007872
N-(3,4-dichlorophenyl)-2-(2-methoxy-4-propan-2-ylphenoxy)acetamide
CID 129156953
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113120459
N-[3-[1-(2-phenylmethoxyphenyl)propyl]phenyl]-2-pyridin-3-ylacetamide
CID 67659278
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7957082
N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
CID 109036911
N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954400

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[3-chloro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide (CID 162660886) is N-[3-chloro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[3-chloro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[3-chloro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide is Cc1ccc(C(C)C)cc1Oc1ccc(NC(=O)Cc2cccnc2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide?
The InChIKey is WMIDDEZRIJZIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2/c1-15(2)18-7-6-16(3)22(12-18)28-21-9-8-19(13-20(21)24)26-23(27)11-17-5-4-10-25-14-17/h4-10,12-15H,11H2,1-3H3,(H,26,27).
What are the key properties of N-[3-chloro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide?
N-[3-chloro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide has a molecular weight of 394.90 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 162660886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).