5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide

C13H16Cl2N2O — CID 114098995

IUPAC5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide
SMILESCCC1(CNC(=O)c2cc(N)cc(Cl)c2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O/c1-2-13(3-4-13)7-17-12(18)9-5-8(16)6-10(14)11(9)15/h5-6H,2-4,7,16H2,1H3,(H,17,18)
InChIKeyBPWYCXNMBMKZPJ-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.50
Rot. Bonds4

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

5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide (PubChem CID 114098995) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide
PubChem CID114098995
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide
SMILESCCC1(CNC(=O)c2cc(N)cc(Cl)c2Cl)CC1
InChIInChI=1S/C13H16Cl2N2O/c1-2-13(3-4-13)7-17-12(18)9-5-8(16)6-10(14)11(9)15/h5-6H,2-4,7,16H2,1H3,(H,17,18)
InChIKeyBPWYCXNMBMKZPJ-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-dichloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 107185637
2-amino-3-chloro-N-[(1-ethylcyclopropyl)methyl]benzamide
CID 114098998
5-amino-2,3-dichloro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 107184920
5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755616
5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107183561
5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211060
4-chloro-N-[(1-ethylcyclopropyl)methyl]-2-hydroxybenzamide
CID 113251997
3-amino-2-chloro-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 114107092
5-amino-2,3-dichloro-N-(2-hydroxy-3-methylbutyl)benzamide
CID 107185931
4-amino-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-3-carboxamide
CID 114101892
5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184699
2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
CID 103737223

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide (CID 114098995) is 5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide is CCC1(CNC(=O)c2cc(N)cc(Cl)c2Cl)CC1.
What is the InChIKey of 5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide?
The InChIKey is BPWYCXNMBMKZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-2-13(3-4-13)7-17-12(18)9-5-8(16)6-10(14)11(9)15/h5-6H,2-4,7,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide?
5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide has a molecular weight of 287.19 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-[(1-ethylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 114098995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).