N-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide

C16H17ClN2O2 — CID 75387696

IUPACN-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide
SMILESCCOc1cc(Cl)ccc1CNC(=O)Cc1cccnc1
InChIInChI=1S/C16H17ClN2O2/c1-2-21-15-9-14(17)6-5-13(15)11-19-16(20)8-12-4-3-7-18-10-12/h3-7,9-10H,2,8,11H2,1H3,(H,19,20)
InChIKeyNEQAFWZGDUIHDX-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.99
Rot. Bonds6

About N-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide

N-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide (PubChem CID 75387696) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide
PubChem CID75387696
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide
SMILESCCOc1cc(Cl)ccc1CNC(=O)Cc1cccnc1
InChIInChI=1S/C16H17ClN2O2/c1-2-21-15-9-14(17)6-5-13(15)11-19-16(20)8-12-4-3-7-18-10-12/h3-7,9-10H,2,8,11H2,1H3,(H,19,20)
InChIKeyNEQAFWZGDUIHDX-UHFFFAOYSA-N
XLogP2.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[(4-chloro-2-ethoxyphenyl)methyl]acetamide
CID 75387694
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602
3-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 38019578
3-[(4-chloro-2-ethoxyphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122066220
1-[(4-chloro-2-ethoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 75431621
2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 47076367
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947644
2-(2,5-dichlorophenoxy)-N-(2-pyridin-3-ylethyl)acetamide
CID 24672717
3-[(4-chloro-2-methoxyphenyl)methyl]-1-ethyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 97099117
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide
CID 19871620
N-[(4-chloro-2-methoxyphenyl)methyl]-2-ethoxypyridine-4-carboxamide
CID 86967797

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide (CID 75387696) is N-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide is CCOc1cc(Cl)ccc1CNC(=O)Cc1cccnc1.
What is the InChIKey of N-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide?
The InChIKey is NEQAFWZGDUIHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-21-15-9-14(17)6-5-13(15)11-19-16(20)8-12-4-3-7-18-10-12/h3-7,9-10H,2,8,11H2,1H3,(H,19,20).
What are the key properties of N-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide?
N-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide has a molecular weight of 304.78 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-ethoxyphenyl)methyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 75387696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).