2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide

C12H16Cl2N2O2 — CID 120985367

IUPAC2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-7(16-12(17)11(15)6-18-2)9-5-8(13)3-4-10(9)14/h3-5,7,11H,6,15H2,1-2H3,(H,16,17)
InChIKeyLJQNFMKFCQYSAE-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.14
Rot. Bonds5

About 2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide

2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide (PubChem CID 120985367) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide
PubChem CID120985367
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-7(16-12(17)11(15)6-18-2)9-5-8(13)3-4-10(9)14/h3-5,7,11H,6,15H2,1-2H3,(H,16,17)
InChIKeyLJQNFMKFCQYSAE-UHFFFAOYSA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120986789
2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983262
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-5-methoxypentanamide
CID 81082315
2-amino-3-methoxy-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 81089691
2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride
CID 120983404
2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983408
methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
CID 162344729
2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide
CID 81083669
(2S)-2-amino-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]hexanamide
CID 93339949
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
CID 81359920
methyl 2-[1-(2,5-dichlorophenyl)ethylamino]-4-methylpentanoate
CID 43688973

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide (CID 120985367) is 2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide is COCC(N)C(=O)NC(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide?
The InChIKey is LJQNFMKFCQYSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-7(16-12(17)11(15)6-18-2)9-5-8(13)3-4-10(9)14/h3-5,7,11H,6,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide?
2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide has a molecular weight of 291.18 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide is sourced from PubChem (CID 120985367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).