4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide

C13H18ClN3O3 — CID 115738491

IUPAC4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
SMILESCOCCNC(=O)CCNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H18ClN3O3/c1-20-7-6-16-12(18)4-5-17-13(19)10-3-2-9(15)8-11(10)14/h2-3,8H,4-7,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyDSMJGOAHXAWWRF-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.80
Rot. Bonds7

About 4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide

4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide (PubChem CID 115738491) has the molecular formula C13H18ClN3O3 and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
PubChem CID115738491
Molecular FormulaC13H18ClN3O3
Molecular Weight299.76 g/mol
Exact Mass299.10
IUPAC Name4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
SMILESCOCCNC(=O)CCNC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C13H18ClN3O3/c1-20-7-6-16-12(18)4-5-17-13(19)10-3-2-9(15)8-11(10)14/h2-3,8H,4-7,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyDSMJGOAHXAWWRF-UHFFFAOYSA-N
XLogP0.80
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-dichloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 107185821
2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]-4-nitrobenzamide
CID 51092469
2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103764472
5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705898
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675
4-amino-2-chloro-N-[2-[(1R)-1-phenylethoxy]ethyl]benzamide
CID 156874708
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
5-amino-2-(2,4-dichloroanilino)-N-(2-methoxyethyl)benzamide
CID 100647300
5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 107184920
2-chloro-N-(2-methoxyethyl)-4-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]amino]benzamide
CID 55917738
5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride
CID 120618901
4-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994336

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide (CID 115738491) is 4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide is COCCNC(=O)CCNC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide?
The InChIKey is DSMJGOAHXAWWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3/c1-20-7-6-16-12(18)4-5-17-13(19)10-3-2-9(15)8-11(10)14/h2-3,8H,4-7,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide?
4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide has a molecular weight of 299.76 g/mol, XLogP of 0.80, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 115738491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).