(2R)-2-[2-(2,6-dichloroanilino)phenyl]-N-[1-(dimethylamino)propyl]propanamide

C20H25Cl2N3O — CID 174469725

IUPAC(2R)-2-[2-(2,6-dichloroanilino)phenyl]-N-[1-(dimethylamino)propyl]propanamide
SMILESCCC(NC(=O)[C@H](C)c1ccccc1Nc1c(Cl)cccc1Cl)N(C)C
InChIInChI=1S/C20H25Cl2N3O/c1-5-18(25(3)4)24-20(26)13(2)14-9-6-7-12-17(14)23-19-15(21)10-8-11-16(19)22/h6-13,18,23H,5H2,1-4H3,(H,24,26)/t13-,18?/m1/s1
InChIKeyZTLZTSKBIICPBP-YJJYDOSJSA-N
MW394.35 g/mol
LogP5.25
Rot. Bonds7

About (2R)-2-[2-(2,6-dichloroanilino)phenyl]-N-[1-(dimethylamino)propyl]propanamide

(2R)-2-[2-(2,6-dichloroanilino)phenyl]-N-[1-(dimethylamino)propyl]propanamide (PubChem CID 174469725) has the molecular formula C20H25Cl2N3O and a molecular weight of 394.35 g/mol. Its IUPAC name is (2R)-2-[2-(2,6-dichloroanilino)phenyl]-N-[1-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[2-(2,6-dichloroanilino)phenyl]-N-[1-(dimethylamino)propyl]propanamide
PubChem CID174469725
Molecular FormulaC20H25Cl2N3O
Molecular Weight394.35 g/mol
Exact Mass393.14
IUPAC Name(2R)-2-[2-(2,6-dichloroanilino)phenyl]-N-[1-(dimethylamino)propyl]propanamide
SMILESCCC(NC(=O)[C@H](C)c1ccccc1Nc1c(Cl)cccc1Cl)N(C)C
InChIInChI=1S/C20H25Cl2N3O/c1-5-18(25(3)4)24-20(26)13(2)14-9-6-7-12-17(14)23-19-15(21)10-8-11-16(19)22/h6-13,18,23H,5H2,1-4H3,(H,24,26)/t13-,18?/m1/s1
InChIKeyZTLZTSKBIICPBP-YJJYDOSJSA-N
XLogP5.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.35
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

sodium 2-[2-(2,6-dichloroanilino)phenyl]butanoate
CID 23672276
2-[2-(2,6-dichloroanilino)phenyl]-N-phenylbutanamide
CID 57216505
3-[2-[2-(2,6-dichloroanilino)phenyl]propanoylamino]propyl-trimethylazanium;methanesulfonic acid
CID 87937162
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;6-(dimethylamino)-4,4-diphenylheptan-3-one
CID 11628651
1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 86623054
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
2-[2-(2,6-dichloroanilino)phenyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]acetamide
CID 22824884
cesium [2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,3-dimethylbutyl]azanide
CID 144772765
2,6-dichloro-N-[2-[2-(dimethylamino)ethyl]phenyl]aniline
CID 68796254
2,2-dideuterio-2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 10661763

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2,6-dichloroanilino)phenyl]-N-[1-(dimethylamino)propyl]propanamide?
The IUPAC name of (2R)-2-[2-(2,6-dichloroanilino)phenyl]-N-[1-(dimethylamino)propyl]propanamide (CID 174469725) is (2R)-2-[2-(2,6-dichloroanilino)phenyl]-N-[1-(dimethylamino)propyl]propanamide.
What is the SMILES notation for (2R)-2-[2-(2,6-dichloroanilino)phenyl]-N-[1-(dimethylamino)propyl]propanamide?
The canonical SMILES for (2R)-2-[2-(2,6-dichloroanilino)phenyl]-N-[1-(dimethylamino)propyl]propanamide is CCC(NC(=O)[C@H](C)c1ccccc1Nc1c(Cl)cccc1Cl)N(C)C.
What is the InChIKey of (2R)-2-[2-(2,6-dichloroanilino)phenyl]-N-[1-(dimethylamino)propyl]propanamide?
The InChIKey is ZTLZTSKBIICPBP-YJJYDOSJSA-N. The full InChI is InChI=1S/C20H25Cl2N3O/c1-5-18(25(3)4)24-20(26)13(2)14-9-6-7-12-17(14)23-19-15(21)10-8-11-16(19)22/h6-13,18,23H,5H2,1-4H3,(H,24,26)/t13-,18?/m1/s1.
What are the key properties of (2R)-2-[2-(2,6-dichloroanilino)phenyl]-N-[1-(dimethylamino)propyl]propanamide?
(2R)-2-[2-(2,6-dichloroanilino)phenyl]-N-[1-(dimethylamino)propyl]propanamide has a molecular weight of 394.35 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2,6-dichloroanilino)phenyl]-N-[1-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 174469725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).