2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide

C12H18ClN3O — CID 79582552

IUPAC2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1cc(Cl)ccc1N
InChIInChI=1S/C12H18ClN3O/c1-8(2)16(7-12(15)17)6-9-5-10(13)3-4-11(9)14/h3-5,8H,6-7,14H2,1-2H3,(H2,15,17)
InChIKeyHDRKLGSMXKKOID-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.62
Rot. Bonds5

About 2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide

2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide (PubChem CID 79582552) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide
PubChem CID79582552
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)Cc1cc(Cl)ccc1N
InChIInChI=1S/C12H18ClN3O/c1-8(2)16(7-12(15)17)6-9-5-10(13)3-4-11(9)14/h3-5,8H,6-7,14H2,1-2H3,(H2,15,17)
InChIKeyHDRKLGSMXKKOID-UHFFFAOYSA-N
XLogP1.62
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.62
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

2-[(3-amino-4-chlorophenyl)methyl-propan-2-ylamino]acetamide
CID 54988874
2-[(2,5-dichlorophenyl)methyl-propan-2-ylamino]ethanethioamide
CID 65317522
3-[[(2-amino-2-oxoethyl)-propan-2-ylamino]methyl]-4-fluorobenzoic acid
CID 107452238
2-[(4-bromo-2-chlorophenyl)methyl-propan-2-ylamino]acetamide
CID 48935476
4-chloro-2-[[2-methylpropyl(pentan-3-yl)amino]methyl]aniline
CID 79583045
2-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide
CID 112553358
2-[(2-amino-4-chlorophenyl)methyl-butylamino]acetamide
CID 55037491
2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide
CID 8559770
2-[(2-amino-5-chlorophenyl)methyl-methylamino]-N-ethylacetamide
CID 79582319
2-[(2-amino-5-chlorophenyl)sulfonyl-ethylamino]acetamide
CID 103101046
ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate
CID 170884905
2-amino-N-[(2,5-dichlorophenyl)methyl]-N-propan-2-ylacetamide
CID 66568195

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide (CID 79582552) is 2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)Cc1cc(Cl)ccc1N.
What is the InChIKey of 2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide?
The InChIKey is HDRKLGSMXKKOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8(2)16(7-12(15)17)6-9-5-10(13)3-4-11(9)14/h3-5,8H,6-7,14H2,1-2H3,(H2,15,17).
What are the key properties of 2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide?
2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide has a molecular weight of 255.75 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-chlorophenyl)methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 79582552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).