3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide

C13H13ClN2O2 — CID 112575697

IUPAC3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCc2ccco2)c1Cl
InChIInChI=1S/C13H13ClN2O2/c14-12-10(4-1-5-11(12)15)13(17)16-7-6-9-3-2-8-18-9/h1-5,8H,6-7,15H2,(H,16,17)
InChIKeyLPSTYCXUWRORSR-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.49
Rot. Bonds4

About 3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide

3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide (PubChem CID 112575697) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
PubChem CID112575697
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide
SMILESNc1cccc(C(=O)NCCc2ccco2)c1Cl
InChIInChI=1S/C13H13ClN2O2/c14-12-10(4-1-5-11(12)15)13(17)16-7-6-9-3-2-8-18-9/h1-5,8H,6-7,15H2,(H,16,17)
InChIKeyLPSTYCXUWRORSR-UHFFFAOYSA-N
XLogP2.49
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.49
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

3-amino-N-[2-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 113386431
3-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 61140792
N-[2-(furan-2-yl)ethyl]-2-hydrazinylbenzamide
CID 62249792
3-amino-4,5-dichloro-N-[2-(furan-2-yl)ethyl]benzamide
CID 61139466
3-amino-2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106391680
3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115930156
3-amino-2-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 112575884
2-amino-N-[2-(furan-2-yl)ethyl]-6-methoxybenzamide
CID 81421132
2-bromo-N-[2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 103753929
2-amino-6-chloro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 62161577
3-amino-5-bromo-N-[2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 107872467
3-amino-2-chloro-N-pent-4-ynylbenzamide
CID 106219785

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide (CID 112575697) is 3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide is Nc1cccc(C(=O)NCCc2ccco2)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide?
The InChIKey is LPSTYCXUWRORSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-12-10(4-1-5-11(12)15)13(17)16-7-6-9-3-2-8-18-9/h1-5,8H,6-7,15H2,(H,16,17).
What are the key properties of 3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide?
3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide has a molecular weight of 264.71 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-[2-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 112575697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).