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

C11H13ClN4O3 — CID 62921855

IUPAC4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide
SMILESNC(=O)CN(CC(N)=O)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H13ClN4O3/c12-8-3-6(13)1-2-7(8)11(19)16(4-9(14)17)5-10(15)18/h1-3H,4-5,13H2,(H2,14,17)(H2,15,18)
InChIKeyIPLWQYQPZQSFMR-UHFFFAOYSA-N
MW284.70 g/mol
LogP-0.67
Rot. Bonds5

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

4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide (PubChem CID 62921855) has the molecular formula C11H13ClN4O3 and a molecular weight of 284.70 g/mol. Its IUPAC name is 4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide.

Molecular Properties

Compound Name4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide
PubChem CID62921855
Molecular FormulaC11H13ClN4O3
Molecular Weight284.70 g/mol
Exact Mass284.07
IUPAC Name4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide
SMILESNC(=O)CN(CC(N)=O)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C11H13ClN4O3/c12-8-3-6(13)1-2-7(8)11(19)16(4-9(14)17)5-10(15)18/h1-3H,4-5,13H2,(H2,14,17)(H2,15,18)
InChIKeyIPLWQYQPZQSFMR-UHFFFAOYSA-N
XLogP-0.67
TPSA132.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 5-0.67
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

4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
CID 43587105
4-amino-N-(2-amino-2-oxoethyl)-2-chlorobenzamide
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5-amino-N,N-bis(2-amino-2-oxoethyl)-2-methoxybenzamide
CID 62921862
4-amino-N-benzyl-2-chloro-N-ethylbenzamide
CID 28748815
4-amino-2-chloro-N-[3-(dimethylamino)propyl]-N-ethylbenzamide
CID 102990858
4-amino-N-benzyl-2-chloro-N-(2-hydroxyethyl)benzamide
CID 61107477
4-amino-2-chlorobenzoic acid;carbamic acid
CID 67980253
2-[(5-amino-2-chlorophenyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 55157213
4-amino-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119729851
2-amino-N,N-bis(2-amino-2-oxoethyl)-4-fluorobenzamide
CID 63110451
4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115647
4-amino-2-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 61110331

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide?
The IUPAC name of 4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide (CID 62921855) is 4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide.
What is the SMILES notation for 4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide?
The canonical SMILES for 4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide is NC(=O)CN(CC(N)=O)C(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide?
The InChIKey is IPLWQYQPZQSFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O3/c12-8-3-6(13)1-2-7(8)11(19)16(4-9(14)17)5-10(15)18/h1-3H,4-5,13H2,(H2,14,17)(H2,15,18).
What are the key properties of 4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide?
4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide has a molecular weight of 284.70 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-bis(2-amino-2-oxoethyl)-2-chlorobenzamide is sourced from PubChem (CID 62921855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).