N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide

C14H22ClN3O — CID 43376037

IUPACN-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
SMILESCCC(C)CN(C)CC(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C14H22ClN3O/c1-4-10(2)8-18(3)9-14(19)17-13-7-11(16)5-6-12(13)15/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeyKSIAXVLDRWXNPT-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.84
Rot. Bonds6

About N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide

N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide (PubChem CID 43376037) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
PubChem CID43376037
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
SMILESCCC(C)CN(C)CC(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C14H22ClN3O/c1-4-10(2)8-18(3)9-14(19)17-13-7-11(16)5-6-12(13)15/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19)
InChIKeyKSIAXVLDRWXNPT-UHFFFAOYSA-N
XLogP2.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide 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

N-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide
CID 54992924
N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295413
N-(2-amino-4,6-dichlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295373
N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568654
2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101383
N-(5-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61421770
N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 43613723
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-N-methylanilino)acetamide
CID 107733825
N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295418
N-(4-amino-2-methoxyphenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295359
N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide
CID 63834271
3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914827

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide (CID 43376037) is N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide is CCC(C)CN(C)CC(=O)Nc1cc(N)ccc1Cl.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide?
The InChIKey is KSIAXVLDRWXNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-10(2)8-18(3)9-14(19)17-13-7-11(16)5-6-12(13)15/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,19).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide?
N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide has a molecular weight of 283.80 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide is sourced from PubChem (CID 43376037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).