4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide

C15H14Cl2N2O2 — CID 82811231

IUPAC4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
SMILESNc1c(Cl)cc(C(=O)N(Cc2ccco2)C2CC2)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c16-12-6-9(7-13(17)14(12)18)15(20)19(10-3-4-10)8-11-2-1-5-21-11/h1-2,5-7,10H,3-4,8,18H2
InChIKeyLCIMTXGCQBQDMG-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.97
Rot. Bonds4

About 4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide

4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide (PubChem CID 82811231) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
PubChem CID82811231
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
SMILESNc1c(Cl)cc(C(=O)N(Cc2ccco2)C2CC2)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c16-12-6-9(7-13(17)14(12)18)15(20)19(10-3-4-10)8-11-2-1-5-21-11/h1-2,5-7,10H,3-4,8,18H2
InChIKeyLCIMTXGCQBQDMG-UHFFFAOYSA-N
XLogP3.97
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 107074444
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide
CID 60731680
N-cyclopropyl-N-(furan-2-ylmethyl)-3-methylbenzamide
CID 47022969
2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107074445
3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 8019928
5-amino-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 81317098
3-[cyclopropyl(furan-2-ylmethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369452
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62793672
4-amino-N,1-dicyclopropyl-N-(furan-2-ylmethyl)pyrrole-2-carboxamide
CID 61105549
2-amino-N-[2-[cyclopropyl(furan-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 54870592

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide (CID 82811231) is 4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide is Nc1c(Cl)cc(C(=O)N(Cc2ccco2)C2CC2)cc1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide?
The InChIKey is LCIMTXGCQBQDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-12-6-9(7-13(17)14(12)18)15(20)19(10-3-4-10)8-11-2-1-5-21-11/h1-2,5-7,10H,3-4,8,18H2.
What are the key properties of 4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide?
4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide has a molecular weight of 325.20 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 82811231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).