N-[2-[(5-amino-2-chlorophenyl)methylcarbamoyl-methylamino]ethyl]acetamide

C13H19ClN4O2 — CID 143763742

IUPACN-[2-[(5-amino-2-chlorophenyl)methylcarbamoyl-methylamino]ethyl]acetamide
SMILESCC(=O)NCCN(C)C(=O)NCc1cc(N)ccc1Cl
InChIInChI=1S/C13H19ClN4O2/c1-9(19)16-5-6-18(2)13(20)17-8-10-7-11(15)3-4-12(10)14/h3-4,7H,5-6,8,15H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyGVJVFRVMSDWAFH-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.20
Rot. Bonds5

About N-[2-[(5-amino-2-chlorophenyl)methylcarbamoyl-methylamino]ethyl]acetamide

N-[2-[(5-amino-2-chlorophenyl)methylcarbamoyl-methylamino]ethyl]acetamide (PubChem CID 143763742) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-[2-[(5-amino-2-chlorophenyl)methylcarbamoyl-methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-amino-2-chlorophenyl)methylcarbamoyl-methylamino]ethyl]acetamide
PubChem CID143763742
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC NameN-[2-[(5-amino-2-chlorophenyl)methylcarbamoyl-methylamino]ethyl]acetamide
SMILESCC(=O)NCCN(C)C(=O)NCc1cc(N)ccc1Cl
InChIInChI=1S/C13H19ClN4O2/c1-9(19)16-5-6-18(2)13(20)17-8-10-7-11(15)3-4-12(10)14/h3-4,7H,5-6,8,15H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyGVJVFRVMSDWAFH-UHFFFAOYSA-N
XLogP1.20
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-amino-2-chlorophenyl)methyl]acetamide
CID 142080080
methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
CID 43551425
N-[(2,5-diaminophenyl)methyl]acetamide;dihydrochloride
CID 18415482
N-[(5-acetyl-2-chlorophenyl)methyl]acetamide
CID 11858678
methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate
CID 61456989
N-[(5-amino-2-chlorophenyl)methyl]-3,4-difluoro-N-methylbenzamide
CID 43549697
2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 55157213
N-[(5-amino-2-chlorophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43549722
5-amino-2-chloro-N-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106913729
N-[(5-amino-2-chlorophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
CID 81453152
N-[(5-amino-2-chlorophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62588977
3-[(4-bromo-2-chlorophenyl)methyl]-1-[(3R)-3-hydroxybutyl]-1-methylurea
CID 97235531

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-2-chlorophenyl)methylcarbamoyl-methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(5-amino-2-chlorophenyl)methylcarbamoyl-methylamino]ethyl]acetamide (CID 143763742) is N-[2-[(5-amino-2-chlorophenyl)methylcarbamoyl-methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(5-amino-2-chlorophenyl)methylcarbamoyl-methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(5-amino-2-chlorophenyl)methylcarbamoyl-methylamino]ethyl]acetamide is CC(=O)NCCN(C)C(=O)NCc1cc(N)ccc1Cl.
What is the InChIKey of N-[2-[(5-amino-2-chlorophenyl)methylcarbamoyl-methylamino]ethyl]acetamide?
The InChIKey is GVJVFRVMSDWAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-9(19)16-5-6-18(2)13(20)17-8-10-7-11(15)3-4-12(10)14/h3-4,7H,5-6,8,15H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-[(5-amino-2-chlorophenyl)methylcarbamoyl-methylamino]ethyl]acetamide?
N-[2-[(5-amino-2-chlorophenyl)methylcarbamoyl-methylamino]ethyl]acetamide has a molecular weight of 298.77 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-2-chlorophenyl)methylcarbamoyl-methylamino]ethyl]acetamide is sourced from PubChem (CID 143763742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).