5-amino-2,3-dichloro-N-[1-(diethylamino)propan-2-yl]benzamide

C14H21Cl2N3O — CID 107184940

IUPAC5-amino-2,3-dichloro-N-[1-(diethylamino)propan-2-yl]benzamide
SMILESCCN(CC)CC(C)NC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-4-19(5-2)8-9(3)18-14(20)11-6-10(17)7-12(15)13(11)16/h6-7,9H,4-5,8,17H2,1-3H3,(H,18,20)
InChIKeyQBGPRXKHARZJMU-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.04
Rot. Bonds6

About 5-amino-2,3-dichloro-N-[1-(diethylamino)propan-2-yl]benzamide

5-amino-2,3-dichloro-N-[1-(diethylamino)propan-2-yl]benzamide (PubChem CID 107184940) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[1-(diethylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[1-(diethylamino)propan-2-yl]benzamide
PubChem CID107184940
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name5-amino-2,3-dichloro-N-[1-(diethylamino)propan-2-yl]benzamide
SMILESCCN(CC)CC(C)NC(=O)c1cc(N)cc(Cl)c1Cl
InChIInChI=1S/C14H21Cl2N3O/c1-4-19(5-2)8-9(3)18-14(20)11-6-10(17)7-12(15)13(11)16/h6-7,9H,4-5,8,17H2,1-3H3,(H,18,20)
InChIKeyQBGPRXKHARZJMU-UHFFFAOYSA-N
XLogP3.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.04
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-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 107186105
5-amino-2,3-dichloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]benzamide
CID 107185802
5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211060
6-amino-3-chloro-N-[1-(diethylamino)propan-2-yl]pyridine-2-carboxamide
CID 62161278
5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 107185931
5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 107185291
5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide
CID 107183624
N-[1-(diethylamino)propan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 103829876
N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide
CID 104929706
N-[1-(diethylamino)propan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103718100
5-amino-2,3-dichloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 106151930
4-bromo-N-[1-(diethylamino)propan-2-yl]-2-sulfanylbenzamide
CID 107027574

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[1-(diethylamino)propan-2-yl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[1-(diethylamino)propan-2-yl]benzamide (CID 107184940) is 5-amino-2,3-dichloro-N-[1-(diethylamino)propan-2-yl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[1-(diethylamino)propan-2-yl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[1-(diethylamino)propan-2-yl]benzamide is CCN(CC)CC(C)NC(=O)c1cc(N)cc(Cl)c1Cl.
What is the InChIKey of 5-amino-2,3-dichloro-N-[1-(diethylamino)propan-2-yl]benzamide?
The InChIKey is QBGPRXKHARZJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O/c1-4-19(5-2)8-9(3)18-14(20)11-6-10(17)7-12(15)13(11)16/h6-7,9H,4-5,8,17H2,1-3H3,(H,18,20).
What are the key properties of 5-amino-2,3-dichloro-N-[1-(diethylamino)propan-2-yl]benzamide?
5-amino-2,3-dichloro-N-[1-(diethylamino)propan-2-yl]benzamide has a molecular weight of 318.25 g/mol, XLogP of 3.04, 6 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-(diethylamino)propan-2-yl]benzamide is sourced from PubChem (CID 107184940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).