2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide

C10H12Cl2N2O2 — CID 116850865

IUPAC2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide
SMILESCOc1c(Cl)cc(Cl)cc1CC(N)C(N)=O
InChIInChI=1S/C10H12Cl2N2O2/c1-16-9-5(3-8(13)10(14)15)2-6(11)4-7(9)12/h2,4,8H,3,13H2,1H3,(H2,14,15)
InChIKeySIAUJBHGBYYCKX-UHFFFAOYSA-N
MW263.12 g/mol
LogP1.36
Rot. Bonds4

About 2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide

2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide (PubChem CID 116850865) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is 2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide
PubChem CID116850865
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide
SMILESCOc1c(Cl)cc(Cl)cc1CC(N)C(N)=O
InChIInChI=1S/C10H12Cl2N2O2/c1-16-9-5(3-8(13)10(14)15)2-6(11)4-7(9)12/h2,4,8H,3,13H2,1H3,(H2,14,15)
InChIKeySIAUJBHGBYYCKX-UHFFFAOYSA-N
XLogP1.36
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one
CID 83941095
methyl (2R)-2-amino-3-(2-amino-3,5-dichlorophenyl)propanoate
CID 171237941
methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate
CID 110782986
2-amino-3-(5-chloro-2,3-dimethoxy-4-methylphenyl)propanoic acid
CID 117437019
2-amino-3-(3,4,5-trimethoxyphenyl)propanamide
CID 116850909
(E)-4-(3,5-dichloro-2-methoxyphenyl)but-2-enoic acid
CID 116866031
N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193602
2-amino-3-(5-chloro-2-hydroxy-4-methoxy-3-methylphenyl)propanoic acid
CID 117403271
2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 122036939
1,5-dichloro-3-(2-chloroethyl)-2-methoxybenzene
CID 82477195
N-[2-(3,5-dichloro-2-methoxyphenyl)ethyl]carbamoyl bromide
CID 115193935

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide?
The IUPAC name of 2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide (CID 116850865) is 2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide?
The canonical SMILES for 2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide is COc1c(Cl)cc(Cl)cc1CC(N)C(N)=O.
What is the InChIKey of 2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide?
The InChIKey is SIAUJBHGBYYCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-16-9-5(3-8(13)10(14)15)2-6(11)4-7(9)12/h2,4,8H,3,13H2,1H3,(H2,14,15).
What are the key properties of 2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide?
2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide has a molecular weight of 263.12 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 116850865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).