2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide

C16H17ClN2O2 — CID 40585331

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C16H17ClN2O2/c1-11-9-14(17)3-4-15(11)21-10-16(20)19-12(2)13-5-7-18-8-6-13/h3-9,12H,10H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyZHCBXRLYCCBHRG-LBPRGKRZSA-N
MW304.78 g/mol
LogP3.30
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide (PubChem CID 40585331) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
PubChem CID40585331
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N[C@@H](C)c1ccncc1
InChIInChI=1S/C16H17ClN2O2/c1-11-9-14(17)3-4-15(11)21-10-16(20)19-12(2)13-5-7-18-8-6-13/h3-9,12H,10H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyZHCBXRLYCCBHRG-LBPRGKRZSA-N
XLogP3.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 16544805
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-(4-chloro-2-methylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7936549
2-(2-chloro-4-phenylphenoxy)-N-(1-pyridin-4-ylethyl)acetamide
CID 24639231
methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-methylbutanoate
CID 43404158
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
(2S)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]butanedioic acid
CID 112732976
1-(4-chloro-2-methylphenoxy)-3-methylbutan-2-one
CID 79396132
2-(4-chloro-2-methylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25386860
2-(2,5-dichlorophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163135
(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822760

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide (CID 40585331) is 2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)N[C@@H](C)c1ccncc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
The InChIKey is ZHCBXRLYCCBHRG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-9-14(17)3-4-15(11)21-10-16(20)19-12(2)13-5-7-18-8-6-13/h3-9,12H,10H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide has a molecular weight of 304.78 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(1S)-1-pyridin-4-ylethyl]acetamide is sourced from PubChem (CID 40585331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).