N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide

C13H20ClN3O2 — CID 54879448

IUPACN-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
SMILESCN(CCO)CCCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C13H20ClN3O2/c1-17(7-8-18)6-2-3-13(19)16-12-5-4-10(14)9-11(12)15/h4-5,9,18H,2-3,6-8,15H2,1H3,(H,16,19)
InChIKeyWWROWMSRJRAOHL-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.57
Rot. Bonds7

About N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide

N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide (PubChem CID 54879448) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
PubChem CID54879448
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC NameN-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
SMILESCN(CCO)CCCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C13H20ClN3O2/c1-17(7-8-18)6-2-3-13(19)16-12-5-4-10(14)9-11(12)15/h4-5,9,18H,2-3,6-8,15H2,1H3,(H,16,19)
InChIKeyWWROWMSRJRAOHL-UHFFFAOYSA-N
XLogP1.57
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63693562
N-(2-amino-4-chlorophenyl)-4-[(2-amino-2-oxoethyl)-methylamino]butanamide
CID 43373835
N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879333
N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790182
N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295387
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264571
N-(3-amino-4-fluorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879526
N-(5-amino-2-methylphenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879460
N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198146
N-(2-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63685216
N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide
CID 16779496

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide (CID 54879448) is N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide is CN(CCO)CCCC(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide?
The InChIKey is WWROWMSRJRAOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-17(7-8-18)6-2-3-13(19)16-12-5-4-10(14)9-11(12)15/h4-5,9,18H,2-3,6-8,15H2,1H3,(H,16,19).
What are the key properties of N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide?
N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide has a molecular weight of 285.77 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide is sourced from PubChem (CID 54879448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).