2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide

C12H16ClN3O2 — CID 60939022

IUPAC2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CNC(=O)CN
InChIInChI=1S/C12H16ClN3O2/c1-16(12(18)7-15-11(17)6-14)8-9-2-4-10(13)5-3-9/h2-5H,6-8,14H2,1H3,(H,15,17)
InChIKeyPTFPQZUWWIHBJC-UHFFFAOYSA-N
MW269.73 g/mol
LogP0.37
Rot. Bonds5

About 2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide

2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide (PubChem CID 60939022) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide
PubChem CID60939022
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)CNC(=O)CN
InChIInChI=1S/C12H16ClN3O2/c1-16(12(18)7-15-11(17)6-14)8-9-2-4-10(13)5-3-9/h2-5H,6-8,14H2,1H3,(H,15,17)
InChIKeyPTFPQZUWWIHBJC-UHFFFAOYSA-N
XLogP0.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 115157372
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908421
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 100590851
N-[(4-chlorophenyl)methyl]-N-methyl-2-methylsulfanylacetamide
CID 112790205
2,4-dichloro-N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24546574
N-[(4-chlorophenyl)methyl]-2-hydrazinyl-N-methyl-2-oxoacetamide
CID 61414861
2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide
CID 54928469
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(4-bromophenyl)acetamide
CID 112992420
2-(azetidin-3-yl)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 64611177
2,4-dichloro-N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 9417489

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide (CID 60939022) is 2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide is CN(Cc1ccc(Cl)cc1)C(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide?
The InChIKey is PTFPQZUWWIHBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-16(12(18)7-15-11(17)6-14)8-9-2-4-10(13)5-3-9/h2-5H,6-8,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide?
2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide has a molecular weight of 269.73 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(4-chlorophenyl)methyl-methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 60939022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).