N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide

C12H16ClNO2 — CID 90623661

IUPACN-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
SMILESCCC(=O)NCC(OC)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-3-12(15)14-8-11(16-2)9-6-4-5-7-10(9)13/h4-7,11H,3,8H2,1-2H3,(H,14,15)
InChIKeySJTQQRCBWVJXMD-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.55
Rot. Bonds5

About N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide

N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide (PubChem CID 90623661) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
PubChem CID90623661
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC NameN-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
SMILESCCC(=O)NCC(OC)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO2/c1-3-12(15)14-8-11(16-2)9-6-4-5-7-10(9)13/h4-7,11H,3,8H2,1-2H3,(H,14,15)
InChIKeySJTQQRCBWVJXMD-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide
CID 90623820
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-naphthalen-1-ylacetamide
CID 99876133
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 99593313
3-(2-bromophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 99876162
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90623769
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-cyclopentylsulfanylacetamide
CID 99876096
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-ethylsulfanylbenzamide
CID 90623752
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylbenzamide
CID 90623724
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]thiophene-2-carboxamide
CID 99593692
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-methylsulfonylphenyl)propanamide
CID 90623823
N'-[2-(2-chlorophenyl)-2-methoxyethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 90623943

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide (CID 90623661) is N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide is CCC(=O)NCC(OC)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide?
The InChIKey is SJTQQRCBWVJXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-3-12(15)14-8-11(16-2)9-6-4-5-7-10(9)13/h4-7,11H,3,8H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide?
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide has a molecular weight of 241.72 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide is sourced from PubChem (CID 90623661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).