3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C14H19Cl2N3O2 — CID 61116726

IUPAC3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N3O2/c1-4-19(7-12(20)18-8(2)3)14(21)9-5-10(15)13(16)11(17)6-9/h5-6,8H,4,7,17H2,1-3H3,(H,18,20)
InChIKeyGAFYNUQHHWAEFJ-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.56
Rot. Bonds5

About 3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 61116726) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID61116726
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC Name3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C14H19Cl2N3O2/c1-4-19(7-12(20)18-8(2)3)14(21)9-5-10(15)13(16)11(17)6-9/h5-6,8H,4,7,17H2,1-3H3,(H,18,20)
InChIKeyGAFYNUQHHWAEFJ-UHFFFAOYSA-N
XLogP2.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.56
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

3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61115212
2-amino-3-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 115540404
3,4,5-trichloro-N,N-diethylbenzamide
CID 50849492
2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 46823565
4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 8892305
2-(4,6-diamino-3-chloro-N-ethyl-2-fluoroanilino)-N-propan-2-ylacetamide
CID 103552879
N-ethyl-4-fluoro-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 63212665
3-amino-4,5-dichloro-N-[2-(dimethylamino)propyl]benzamide
CID 61140669
N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47105894
4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide
CID 65354414
4-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61115969
3-amino-4,5-dichloro-N-(3-ethylpentan-2-yl)benzamide
CID 63843419

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 61116726) is 3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CCN(CC(=O)NC(C)C)C(=O)c1cc(N)c(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is GAFYNUQHHWAEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2/c1-4-19(7-12(20)18-8(2)3)14(21)9-5-10(15)13(16)11(17)6-9/h5-6,8H,4,7,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 332.23 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 61116726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).