N-[4-[(2-chloroacetyl)amino]furan-3-yl]benzamide

C13H11ClN2O3 — CID 76851694

IUPACN-[4-[(2-chloroacetyl)amino]furan-3-yl]benzamide
SMILESO=C(CCl)Nc1cocc1NC(=O)c1ccccc1
InChIInChI=1S/C13H11ClN2O3/c14-6-12(17)15-10-7-19-8-11(10)16-13(18)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,17)(H,16,18)
InChIKeyPQEIEFXIKNHUNP-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.71
Rot. Bonds4

About N-[4-[(2-chloroacetyl)amino]furan-3-yl]benzamide

N-[4-[(2-chloroacetyl)amino]furan-3-yl]benzamide (PubChem CID 76851694) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is N-[4-[(2-chloroacetyl)amino]furan-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-[(2-chloroacetyl)amino]furan-3-yl]benzamide
PubChem CID76851694
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC NameN-[4-[(2-chloroacetyl)amino]furan-3-yl]benzamide
SMILESO=C(CCl)Nc1cocc1NC(=O)c1ccccc1
InChIInChI=1S/C13H11ClN2O3/c14-6-12(17)15-10-7-19-8-11(10)16-13(18)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,17)(H,16,18)
InChIKeyPQEIEFXIKNHUNP-UHFFFAOYSA-N
XLogP2.71
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide
CID 164603585
2-chloro-N-(2-phenylphenyl)acetamide
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CID 159451185
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
2-benzamidobenzamide
CID 702115
2-chloro-N-[2-(4-phenylphenyl)phenyl]acetamide
CID 175267400
N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide
CID 90459234
N-[2-(methylamino)phenyl]benzamide
CID 101444547
2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide
CID 174969003
N-[2-(sulfanylmethyl)phenyl]benzamide
CID 173232561
N-(2-benzamido-1H-pyrrol-3-yl)benzamide
CID 68860160
2-benzamidoethyl(chloro)mercury
CID 70399484

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloroacetyl)amino]furan-3-yl]benzamide?
The IUPAC name of N-[4-[(2-chloroacetyl)amino]furan-3-yl]benzamide (CID 76851694) is N-[4-[(2-chloroacetyl)amino]furan-3-yl]benzamide.
What is the SMILES notation for N-[4-[(2-chloroacetyl)amino]furan-3-yl]benzamide?
The canonical SMILES for N-[4-[(2-chloroacetyl)amino]furan-3-yl]benzamide is O=C(CCl)Nc1cocc1NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[(2-chloroacetyl)amino]furan-3-yl]benzamide?
The InChIKey is PQEIEFXIKNHUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-6-12(17)15-10-7-19-8-11(10)16-13(18)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,17)(H,16,18).
What are the key properties of N-[4-[(2-chloroacetyl)amino]furan-3-yl]benzamide?
N-[4-[(2-chloroacetyl)amino]furan-3-yl]benzamide has a molecular weight of 278.70 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloroacetyl)amino]furan-3-yl]benzamide is sourced from PubChem (CID 76851694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).