5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide

C13H17Cl2N3O2 — CID 107186105

IUPAC5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2N3O2/c1-4-18(3)13(20)7(2)17-12(19)9-5-8(16)6-10(14)11(9)15/h5-7H,4,16H2,1-3H3,(H,17,19)
InChIKeyRJWBFOYJMNPARB-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.17
Rot. Bonds4

About 5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide

5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide (PubChem CID 107186105) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
PubChem CID107186105
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Name5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2N3O2/c1-4-18(3)13(20)7(2)17-12(19)9-5-8(16)6-10(14)11(9)15/h5-7H,4,16H2,1-3H3,(H,17,19)
InChIKeyRJWBFOYJMNPARB-UHFFFAOYSA-N
XLogP2.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.17
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

5-amino-2,3-dichloro-N-[1-(diethylamino)propan-2-yl]benzamide
CID 107184940
5-amino-3-chloro-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]benzamide
CID 107196988
3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 103106417
5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide
CID 107185802
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107121548
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide
CID 103106429
3-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 103110763
5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide
CID 103106404
5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211060
5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 107185931
4-bromo-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-hydroxybenzamide
CID 103110775
4-methylpentan-2-yl 5-amino-2,3-dichlorobenzoate
CID 107198902

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide (CID 107186105) is 5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide is CCN(C)C(=O)C(C)NC(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is RJWBFOYJMNPARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-4-18(3)13(20)7(2)17-12(19)9-5-8(16)6-10(14)11(9)15/h5-7H,4,16H2,1-3H3,(H,17,19).
What are the key properties of 5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide?
5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 318.20 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 107186105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).