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

C13H17ClN4O — CID 54992924

IUPACN-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide
SMILESCC(C#N)CN(C)CC(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C13H17ClN4O/c1-9(6-15)7-18(2)8-13(19)17-12-5-10(16)3-4-11(12)14/h3-5,9H,7-8,16H2,1-2H3,(H,17,19)
InChIKeyYQYFLHMIRXHUFN-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.95
Rot. Bonds5

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

N-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide (PubChem CID 54992924) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide
PubChem CID54992924
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC NameN-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide
SMILESCC(C#N)CN(C)CC(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C13H17ClN4O/c1-9(6-15)7-18(2)8-13(19)17-12-5-10(16)3-4-11(12)14/h3-5,9H,7-8,16H2,1-2H3,(H,17,19)
InChIKeyYQYFLHMIRXHUFN-UHFFFAOYSA-N
XLogP1.95
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-chlorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43376037
N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568654
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
3-[[2-(5-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N,2-dimethylpropanamide
CID 106914827
3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914665
2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101383
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-N-methylanilino)acetamide
CID 107733825
N-(5-amino-2-chlorophenyl)-3,4,4-trimethylpentanamide
CID 63834271
2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
CID 47117936
N-(4-amino-2,6-dichlorophenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62334919
methyl 3-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62011113

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide (CID 54992924) is N-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide is CC(C#N)CN(C)CC(=O)Nc1cc(N)ccc1Cl.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide?
The InChIKey is YQYFLHMIRXHUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-9(6-15)7-18(2)8-13(19)17-12-5-10(16)3-4-11(12)14/h3-5,9H,7-8,16H2,1-2H3,(H,17,19).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide?
N-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide has a molecular weight of 280.76 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-2-[2-cyanopropyl(methyl)amino]acetamide is sourced from PubChem (CID 54992924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).