4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide

C12H16ClN3O2 — CID 61115647

IUPAC4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-3-15-11(17)7-16(2)12(18)9-5-4-8(14)6-10(9)13/h4-6H,3,7,14H2,1-2H3,(H,15,17)
InChIKeyJANMZBOBSOTZTE-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.13
Rot. Bonds4

About 4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide

4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 61115647) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID61115647
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCCNC(=O)CN(C)C(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-3-15-11(17)7-16(2)12(18)9-5-4-8(14)6-10(9)13/h4-6H,3,7,14H2,1-2H3,(H,15,17)
InChIKeyJANMZBOBSOTZTE-UHFFFAOYSA-N
XLogP1.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.13
H-Bond Donors ≤ 52
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-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61139557
5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61114708
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 106501594
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-5-sulfanylbenzamide
CID 107025947
methyl 4-[(4-amino-2-chlorobenzoyl)-methylamino]butanoate
CID 61109630
4-amino-N-butan-2-yl-2-chloro-N-methylbenzamide;hydrochloride
CID 119737738
4-amino-2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide;hydrochloride
CID 119818676
2,4-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107401
ethyl 2-[(5-amino-2-chlorobenzoyl)-methylamino]acetate
CID 54969553
2,4-diamino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 61107945

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide (CID 61115647) is 4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide is CCNC(=O)CN(C)C(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is JANMZBOBSOTZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-3-15-11(17)7-16(2)12(18)9-5-4-8(14)6-10(9)13/h4-6H,3,7,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide?
4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 269.73 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 61115647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).