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

C12H18ClN3O — CID 43262968

IUPACN-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
SMILESCCN(C)C(C)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C12H18ClN3O/c1-4-16(3)8(2)12(17)15-9-5-6-10(13)11(14)7-9/h5-8H,4,14H2,1-3H3,(H,15,17)
InChIKeyPYGQIHLIJOVMIM-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.20
Rot. Bonds4

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

N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide (PubChem CID 43262968) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
PubChem CID43262968
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
SMILESCCN(C)C(C)C(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C12H18ClN3O/c1-4-16(3)8(2)12(17)15-9-5-6-10(13)11(14)7-9/h5-8H,4,14H2,1-3H3,(H,15,17)
InChIKeyPYGQIHLIJOVMIM-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-(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-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879345
N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985453
N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
CID 115985399
N-(3-amino-4-chlorophenyl)-2-(N-methylanilino)propanamide
CID 16779007
N-(3-amino-4-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224820
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263033
N-(3-amino-4-chlorophenyl)-2-[butyl(cyclopropyl)amino]propanamide
CID 61440840
N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272519
3-(3-amino-4-chlorophenyl)-1,1-dimethylurea
CID 79154275
2-[[1-(3-amino-4-methylanilino)-1-oxopropan-2-yl]-methylamino]acetic acid
CID 82224892

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide (CID 43262968) is N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide is CCN(C)C(C)C(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide?
The InChIKey is PYGQIHLIJOVMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-4-16(3)8(2)12(17)15-9-5-6-10(13)11(14)7-9/h5-8H,4,14H2,1-3H3,(H,15,17).
What are the key properties of N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide?
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide has a molecular weight of 255.75 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide is sourced from PubChem (CID 43262968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).