2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide

C11H15ClN4O2 — CID 55157213

IUPAC2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)Cc1cc(N)ccc1Cl
InChIInChI=1S/C11H15ClN4O2/c12-9-2-1-8(13)3-7(9)4-16(5-10(14)17)6-11(15)18/h1-3H,4-6,13H2,(H2,14,17)(H2,15,18)
InChIKeySUBOZSKSUOIHLV-UHFFFAOYSA-N
MW270.72 g/mol
LogP-0.31
Rot. Bonds6

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

2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 55157213) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID55157213
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESNC(=O)CN(CC(N)=O)Cc1cc(N)ccc1Cl
InChIInChI=1S/C11H15ClN4O2/c12-9-2-1-8(13)3-7(9)4-16(5-10(14)17)6-11(15)18/h1-3H,4-6,13H2,(H2,14,17)(H2,15,18)
InChIKeySUBOZSKSUOIHLV-UHFFFAOYSA-N
XLogP-0.31
TPSA115.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid
CID 107440102
2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921849
2-[(4-amino-2-bromophenyl)methyl-ethylamino]acetamide
CID 103101438
4-chloro-3-[(dipropylamino)methyl]aniline
CID 43169077
2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101383
methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
CID 43551425
4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 62921855
2-[(2-amino-2-oxoethyl)-[(2-chloro-4-methylphenyl)methyl]amino]acetic acid
CID 107440608
N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide
CID 103101430
(2R)-2-amino-3-(5-amino-2-chlorophenyl)propanoic acid
CID 130690220
2-[(5-amino-2-chlorophenyl)methyl-methylamino]-4-methylbenzamide
CID 62308693
2-[(5-amino-2-methoxyphenyl)methyl-methylamino]acetamide
CID 43373789

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide (CID 55157213) is 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide is NC(=O)CN(CC(N)=O)Cc1cc(N)ccc1Cl.
What is the InChIKey of 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is SUBOZSKSUOIHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c12-9-2-1-8(13)3-7(9)4-16(5-10(14)17)6-11(15)18/h1-3H,4-6,13H2,(H2,14,17)(H2,15,18).
What are the key properties of 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide?
2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 270.72 g/mol, XLogP of -0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 55157213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).