4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide

C13H13ClN2O2 — CID 43535392

IUPAC4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(N)cc1Cl)c1ccco1
InChIInChI=1S/C13H13ClN2O2/c1-8(12-3-2-6-18-12)16-13(17)10-5-4-9(15)7-11(10)14/h2-8H,15H2,1H3,(H,16,17)
InChIKeyKTOOMXOFYNDDFR-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.01
Rot. Bonds3

About 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide

4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide (PubChem CID 43535392) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
PubChem CID43535392
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(N)cc1Cl)c1ccco1
InChIInChI=1S/C13H13ClN2O2/c1-8(12-3-2-6-18-12)16-13(17)10-5-4-9(15)7-11(10)14/h2-8H,15H2,1H3,(H,16,17)
InChIKeyKTOOMXOFYNDDFR-UHFFFAOYSA-N
XLogP3.01
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.01
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

2-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 18116836
4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 82795088
4-chloro-N-[1-(furan-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 81225644
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]naphthalene-2-carboxamide
CID 81392741
5-amino-N-[1-(furan-2-yl)ethyl]pyridine-2-carboxamide
CID 81316387
3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
4-amino-2-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113266180
4-amino-2-chloro-N-(1-thiophen-3-ylethyl)benzamide
CID 62840251
2-amino-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 62073819
5-amino-3-chloro-2-[1-(furan-2-yl)ethylamino]benzamide
CID 107194018
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 43535601
4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 80965940

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide (CID 43535392) is 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide is CC(NC(=O)c1ccc(N)cc1Cl)c1ccco1.
What is the InChIKey of 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide?
The InChIKey is KTOOMXOFYNDDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8(12-3-2-6-18-12)16-13(17)10-5-4-9(15)7-11(10)14/h2-8H,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide?
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide has a molecular weight of 264.71 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 43535392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).