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

C9H10ClN3O2 — CID 16775677

IUPAC4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
SMILESNC(=O)CNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C9H10ClN3O2/c10-7-3-5(11)1-2-6(7)9(15)13-4-8(12)14/h1-3H,4,11H2,(H2,12,14)(H,13,15)
InChIKeyXLKNEHIBCYSZRR-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.14
Rot. Bonds3

About 4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide

4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide (PubChem CID 16775677) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
PubChem CID16775677
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
SMILESNC(=O)CNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C9H10ClN3O2/c10-7-3-5(11)1-2-6(7)9(15)13-4-8(12)14/h1-3H,4,11H2,(H2,12,14)(H,13,15)
InChIKeyXLKNEHIBCYSZRR-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

4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
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CID 119709087
4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
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4-amino-2-chloro-N-(2-ethylbutyl)benzamide
CID 115738201
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CID 110464984
4-amino-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzamide
CID 103812552
4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472
2-[(5-amino-2-chlorobenzoyl)amino]acetic acid
CID 50851078
4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide
CID 62921855
2-amino-N-(2-amino-2-oxoethyl)-5-chlorobenzamide
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CID 88985152

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide (CID 16775677) is 4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide is NC(=O)CNC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide?
The InChIKey is XLKNEHIBCYSZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c10-7-3-5(11)1-2-6(7)9(15)13-4-8(12)14/h1-3H,4,11H2,(H2,12,14)(H,13,15).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide?
4-amino-N-(2-amino-2-oxoethyl)-2-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 4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide is sourced from PubChem (CID 16775677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).