N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide

C11H14ClNO — CID 177417745

IUPACN-[2-(3-chloro-4-methylphenyl)ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-8-3-4-10(7-11(8)12)5-6-13-9(2)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeySDWFVTUYAISMHH-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.33
Rot. Bonds3

About N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide

N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide (PubChem CID 177417745) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methylphenyl)ethyl]acetamide
PubChem CID177417745
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC NameN-[2-(3-chloro-4-methylphenyl)ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C)c(Cl)c1
InChIInChI=1S/C11H14ClNO/c1-8-3-4-10(7-11(8)12)5-6-13-9(2)14/h3-4,7H,5-6H2,1-2H3,(H,13,14)
InChIKeySDWFVTUYAISMHH-UHFFFAOYSA-N
XLogP2.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-amino-3-chlorophenyl)ethyl]acetamide
CID 154361232
N-[2-(3,4-dichlorophenyl)ethyl]-2-oxopropanamide
CID 110478308
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
CID 110788838
acetic acid;(3-chloro-4-methylphenyl)methanol
CID 71397051
4-(2-acetamidoethyl)benzenesulfonic acid;hydrochloride
CID 174437007
N-(4-acetamidobutyl)-3-(3,4-dichlorophenyl)propanamide
CID 110356787
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448
N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide
CID 113227506
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882590
3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46679807

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide?
The IUPAC name of N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide (CID 177417745) is N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide is CC(=O)NCCc1ccc(C)c(Cl)c1.
What is the InChIKey of N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide?
The InChIKey is SDWFVTUYAISMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-8-3-4-10(7-11(8)12)5-6-13-9(2)14/h3-4,7H,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide?
N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide has a molecular weight of 211.69 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 177417745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).