2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide

C9H10ClN3O2 — CID 16778185

IUPAC2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide
SMILESNC(=O)CNC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C9H10ClN3O2/c10-5-1-2-7(11)6(3-5)9(15)13-4-8(12)14/h1-3H,4,11H2,(H2,12,14)(H,13,15)
InChIKeyIQIMDWJZWKBEFS-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.14
Rot. Bonds3

About 2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide

2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide (PubChem CID 16778185) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide
PubChem CID16778185
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide
SMILESNC(=O)CNC(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C9H10ClN3O2/c10-5-1-2-7(11)6(3-5)9(15)13-4-8(12)14/h1-3H,4,11H2,(H2,12,14)(H,13,15)
InChIKeyIQIMDWJZWKBEFS-UHFFFAOYSA-N
XLogP0.14
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.14
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

2-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65103861
2-amino-5-chloro-N-(6-hydroxyhexyl)benzamide
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N-(2-amino-2-oxoethyl)-4-chloro-2-methoxybenzamide
CID 63362049
2-amino-5-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103459946
2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide
CID 115597357
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 16775677
2-amino-5-chloro-N-[(1-methylcyclopentyl)methyl]benzamide
CID 63821646
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
CID 9296512
2-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107843370
2-amino-N-(2-carbamoyl-4-chlorophenyl)-5-chlorobenzamide
CID 172722121

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide (CID 16778185) is 2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide is NC(=O)CNC(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide?
The InChIKey is IQIMDWJZWKBEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c10-5-1-2-7(11)6(3-5)9(15)13-4-8(12)14/h1-3H,4,11H2,(H2,12,14)(H,13,15).
What are the key properties of 2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide?
2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide has a molecular weight of 227.65 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide is sourced from PubChem (CID 16778185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).