N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide

C12H15Cl2NO2 — CID 110480475

IUPACN-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-17-5-3-12(16)15-4-2-9-6-10(13)8-11(14)7-9/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyVTAMVHCQNLLFCC-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.69
Rot. Bonds6

About N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide

N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide (PubChem CID 110480475) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide
PubChem CID110480475
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC NameN-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c1-17-5-3-12(16)15-4-2-9-6-10(13)8-11(14)7-9/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyVTAMVHCQNLLFCC-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,5-dichlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47442422
N-[2-(3,5-dichlorophenyl)ethyl]butanamide
CID 110478600
1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-methoxypropyl)urea
CID 47440630
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-methoxypropanamide
CID 90161790
2-[(3,5-dichlorophenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 112685455
N'-[2-(3-chlorophenyl)ethyl]-N-(3-methoxypropyl)propanediamide
CID 108943310
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
3-methoxy-N-[2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]propanamide
CID 110480490
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3,5-dichlorophenyl)ethyl]-3-(1H-imidazol-2-yl)propanamide
CID 100742829

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide?
The IUPAC name of N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide (CID 110480475) is N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide.
What is the SMILES notation for N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide?
The canonical SMILES for N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide is COCCC(=O)NCCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide?
The InChIKey is VTAMVHCQNLLFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-17-5-3-12(16)15-4-2-9-6-10(13)8-11(14)7-9/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide?
N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide has a molecular weight of 276.16 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichlorophenyl)ethyl]-3-methoxypropanamide is sourced from PubChem (CID 110480475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).