2-amino-3-(2,6-dichloroanilino)propanamide

C9H11Cl2N3O — CID 103252602

IUPAC2-amino-3-(2,6-dichloroanilino)propanamide
SMILESNC(=O)C(N)CNc1c(Cl)cccc1Cl
InChIInChI=1S/C9H11Cl2N3O/c10-5-2-1-3-6(11)8(5)14-4-7(12)9(13)15/h1-3,7,14H,4,12H2,(H2,13,15)
InChIKeyREILJADIOCMLEL-UHFFFAOYSA-N
MW248.11 g/mol
LogP1.22
Rot. Bonds4

About 2-amino-3-(2,6-dichloroanilino)propanamide

2-amino-3-(2,6-dichloroanilino)propanamide (PubChem CID 103252602) has the molecular formula C9H11Cl2N3O and a molecular weight of 248.11 g/mol. Its IUPAC name is 2-amino-3-(2,6-dichloroanilino)propanamide.

Molecular Properties

Compound Name2-amino-3-(2,6-dichloroanilino)propanamide
PubChem CID103252602
Molecular FormulaC9H11Cl2N3O
Molecular Weight248.11 g/mol
Exact Mass247.03
IUPAC Name2-amino-3-(2,6-dichloroanilino)propanamide
SMILESNC(=O)C(N)CNc1c(Cl)cccc1Cl
InChIInChI=1S/C9H11Cl2N3O/c10-5-2-1-3-6(11)8(5)14-4-7(12)9(13)15/h1-3,7,14H,4,12H2,(H2,13,15)
InChIKeyREILJADIOCMLEL-UHFFFAOYSA-N
XLogP1.22
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2-chloro-6-methylanilino)propanoic acid
CID 103256039
2-amino-3-[(5-chloro-2,1,3-benzothiadiazol-4-yl)amino]propanamide
CID 103252291
2-amino-3-(2-chloro-3-methylanilino)propanamide
CID 130495827
2-amino-3-(4-iodoanilino)propanamide
CID 103236780
N-carbamoyl-2-(2,6-dichloroanilino)acetamide
CID 65469010
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977
2-amino-3-(4-bromo-2,3-dichloroanilino)propanamide
CID 107791301
2-amino-3-(2-cyano-6-methoxyanilino)propanamide
CID 107468750
(2S)-2-amino-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]propanamide
CID 57015175
sodium 2-(2,6-dichloroanilino)acetate
CID 23676612
2-(2,6-dichloroanilino)-N-pentan-3-ylacetamide
CID 65469961
ethyl N-[(2,6-dichlorophenyl)-(ethoxycarbonylamino)methyl]carbamate
CID 124926176

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,6-dichloroanilino)propanamide?
The IUPAC name of 2-amino-3-(2,6-dichloroanilino)propanamide (CID 103252602) is 2-amino-3-(2,6-dichloroanilino)propanamide.
What is the SMILES notation for 2-amino-3-(2,6-dichloroanilino)propanamide?
The canonical SMILES for 2-amino-3-(2,6-dichloroanilino)propanamide is NC(=O)C(N)CNc1c(Cl)cccc1Cl.
What is the InChIKey of 2-amino-3-(2,6-dichloroanilino)propanamide?
The InChIKey is REILJADIOCMLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O/c10-5-2-1-3-6(11)8(5)14-4-7(12)9(13)15/h1-3,7,14H,4,12H2,(H2,13,15).
What are the key properties of 2-amino-3-(2,6-dichloroanilino)propanamide?
2-amino-3-(2,6-dichloroanilino)propanamide has a molecular weight of 248.11 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,6-dichloroanilino)propanamide is sourced from PubChem (CID 103252602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).