2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide

C11H15ClN2O2 — CID 96676269

IUPAC2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-16-9-3-2-8(10(12)6-9)4-5-14-11(15)7-13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyVBGLCZPNHQVOMA-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.97
Rot. Bonds5

About 2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide

2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide (PubChem CID 96676269) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide
PubChem CID96676269
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN)c(Cl)c1
InChIInChI=1S/C11H15ClN2O2/c1-16-9-3-2-8(10(12)6-9)4-5-14-11(15)7-13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyVBGLCZPNHQVOMA-UHFFFAOYSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide
CID 115153007
1-amino-3-[2-(2-chloro-4-methoxyphenyl)ethyl]urea
CID 115192925
N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 110789762
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195439
N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789764
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 112977363
4-acetamido-N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzamide
CID 110795800
methyl 2-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethoxy]-4-methoxybenzoate
CID 7705071
N-[2-(2-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 166424763
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
2-(4-chlorophenoxy)-N-[2-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 110601482

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide (CID 96676269) is 2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN)c(Cl)c1.
What is the InChIKey of 2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide?
The InChIKey is VBGLCZPNHQVOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-16-9-3-2-8(10(12)6-9)4-5-14-11(15)7-13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide?
2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide has a molecular weight of 242.71 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 96676269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).