N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide

C12H18ClN3O2 — CID 54879345

IUPACN-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(N)c1)N(C)CCO
InChIInChI=1S/C12H18ClN3O2/c1-8(16(2)5-6-17)12(18)15-9-3-4-10(13)11(14)7-9/h3-4,7-8,17H,5-6,14H2,1-2H3,(H,15,18)
InChIKeyUBBISXVGPXYQJC-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.17
Rot. Bonds5

About N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide

N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide (PubChem CID 54879345) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
PubChem CID54879345
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC NameN-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(N)c1)N(C)CCO
InChIInChI=1S/C12H18ClN3O2/c1-8(16(2)5-6-17)12(18)15-9-3-4-10(13)11(14)7-9/h3-4,7-8,17H,5-6,14H2,1-2H3,(H,15,18)
InChIKeyUBBISXVGPXYQJC-UHFFFAOYSA-N
XLogP1.17
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.17
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-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43262968
N-(3-amino-4-chlorophenyl)-2-[methyl(2-methylbutyl)amino]propanamide
CID 43295357
N-(3-amino-4-chlorophenyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 43373800
N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide
CID 16779007
N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985453
N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224820
N-(3-amino-4-chlorophenyl)-2-(2-hydroxyethylsulfanyl)propanamide
CID 43617429
N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
CID 115985399
N-(3-bromophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 110880847
N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide
CID 61440840
N-(3-amino-4-chlorophenyl)-2-(4-hydroxybutan-2-ylsulfanyl)propanamide
CID 66139195
N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272519

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide (CID 54879345) is N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide is CC(C(=O)Nc1ccc(Cl)c(N)c1)N(C)CCO.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide?
The InChIKey is UBBISXVGPXYQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-8(16(2)5-6-17)12(18)15-9-3-4-10(13)11(14)7-9/h3-4,7-8,17H,5-6,14H2,1-2H3,(H,15,18).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide?
N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide has a molecular weight of 271.75 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-[2-hydroxyethyl(methyl)amino]propanamide is sourced from PubChem (CID 54879345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).