5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide

C12H14Cl2N2O — CID 107183529

IUPAC5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide
SMILESCCN(C(=O)c1cc(N)cc(Cl)c1Cl)C1CC1
InChIInChI=1S/C12H14Cl2N2O/c1-2-16(8-3-4-8)12(17)9-5-7(15)6-10(13)11(9)14/h5-6,8H,2-4,15H2,1H3
InChIKeyUGCHIDIZGYNANV-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.20
Rot. Bonds3

About 5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide

5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide (PubChem CID 107183529) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide
PubChem CID107183529
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide
SMILESCCN(C(=O)c1cc(N)cc(Cl)c1Cl)C1CC1
InChIInChI=1S/C12H14Cl2N2O/c1-2-16(8-3-4-8)12(17)9-5-7(15)6-10(13)11(9)14/h5-6,8H,2-4,15H2,1H3
InChIKeyUGCHIDIZGYNANV-UHFFFAOYSA-N
XLogP3.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 16787456
5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide
CID 61095548
5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
CID 107185486
2-amino-N-cyclopropyl-N-ethyl-4,5-dimethoxybenzamide
CID 43263713
6-amino-5-chloro-N-cyclopropyl-N-ethylpyridine-3-carboxamide
CID 62155621
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
CID 43540646
5-amino-2,3-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 107186071
5-amino-2,3-dichloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 107184871
5-amino-2,3-dichloro-N-methyl-N-prop-2-enylbenzamide
CID 107185667
3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide
CID 61209180
2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide
CID 63109697
5-amino-N-cyclopentyl-N-ethyl-2-methoxybenzamide
CID 61094826

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide (CID 107183529) is 5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide is CCN(C(=O)c1cc(N)cc(Cl)c1Cl)C1CC1.
What is the InChIKey of 5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide?
The InChIKey is UGCHIDIZGYNANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-2-16(8-3-4-8)12(17)9-5-7(15)6-10(13)11(9)14/h5-6,8H,2-4,15H2,1H3.
What are the key properties of 5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide?
5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide has a molecular weight of 273.16 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide is sourced from PubChem (CID 107183529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).