4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride

C18H22Cl3N3O3 — CID 70446369

IUPAC4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
SMILESCl.NCCCC(N)=O.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2.C4H10N2O.ClH/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;5-3-1-2-4(6)7;/h1-7,17H,8H2,(H,18,19);1-3,5H2,(H2,6,7);1H
InChIKeyJDEUHCQVFCYTNW-UHFFFAOYSA-N
MW434.75 g/mol
LogP4.00
Rot. Bonds7

About 4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride

4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride (PubChem CID 70446369) has the molecular formula C18H22Cl3N3O3 and a molecular weight of 434.75 g/mol. Its IUPAC name is 4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
PubChem CID70446369
Molecular FormulaC18H22Cl3N3O3
Molecular Weight434.75 g/mol
Exact Mass433.07
IUPAC Name4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
SMILESCl.NCCCC(N)=O.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2.C4H10N2O.ClH/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;5-3-1-2-4(6)7;/h1-7,17H,8H2,(H,18,19);1-3,5H2,(H2,6,7);1H
InChIKeyJDEUHCQVFCYTNW-UHFFFAOYSA-N
XLogP4.00
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.75
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 86623054
(5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 157152797
2,2-dideuterio-2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 10661763
CID 87829814
CID 87829814
2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine
CID 13042167
2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride
CID 25230838
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 12853028
(2S)-4-amino-2-[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]amino]-4-oxobutanoic acid
CID 70351453
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;1-(ethylamino)-2-methylpropan-2-ol
CID 174752797

Frequently Asked Questions

What is the IUPAC name of 4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride?
The IUPAC name of 4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride (CID 70446369) is 4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride.
What is the SMILES notation for 4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride?
The canonical SMILES for 4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride is Cl.NCCCC(N)=O.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride?
The InChIKey is JDEUHCQVFCYTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2.C4H10N2O.ClH/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;5-3-1-2-4(6)7;/h1-7,17H,8H2,(H,18,19);1-3,5H2,(H2,6,7);1H.
What are the key properties of 4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride?
4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride has a molecular weight of 434.75 g/mol, XLogP of 4.00, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutanamide;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride is sourced from PubChem (CID 70446369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).