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

C12H18ClN3O — CID 43263005

IUPACN-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
SMILESCCN(C)CCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C12H18ClN3O/c1-3-16(2)7-6-12(17)15-11-5-4-9(13)8-10(11)14/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,17)
InChIKeyGPOYWPGTPSJLQX-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.20
Rot. Bonds5

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

N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide (PubChem CID 43263005) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
PubChem CID43263005
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
SMILESCCN(C)CCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C12H18ClN3O/c1-3-16(2)7-6-12(17)15-11-5-4-9(13)8-10(11)14/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,17)
InChIKeyGPOYWPGTPSJLQX-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273330
N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide
CID 43571687
N-(2-amino-4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]butanamide
CID 54879448
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-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295387
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790182
N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879333
N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264571
N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
CID 43262963
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide (CID 43263005) is N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide is CCN(C)CCC(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide?
The InChIKey is GPOYWPGTPSJLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-16(2)7-6-12(17)15-11-5-4-9(13)8-10(11)14/h4-5,8H,3,6-7,14H2,1-2H3,(H,15,17).
What are the key properties of N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide?
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide has a molecular weight of 255.75 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide is sourced from PubChem (CID 43263005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).