N-[chloro(furan-2-yl)methyl]benzamide

C12H10ClNO2 — CID 174775719

IUPACN-[chloro(furan-2-yl)methyl]benzamide
SMILESO=C(NC(Cl)c1ccco1)c1ccccc1
InChIInChI=1S/C12H10ClNO2/c13-11(10-7-4-8-16-10)14-12(15)9-5-2-1-3-6-9/h1-8,11H,(H,14,15)
InChIKeyXXMNXOIKYORKKJ-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.95
Rot. Bonds3

About N-[chloro(furan-2-yl)methyl]benzamide

N-[chloro(furan-2-yl)methyl]benzamide (PubChem CID 174775719) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is N-[chloro(furan-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[chloro(furan-2-yl)methyl]benzamide
PubChem CID174775719
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC NameN-[chloro(furan-2-yl)methyl]benzamide
SMILESO=C(NC(Cl)c1ccco1)c1ccccc1
InChIInChI=1S/C12H10ClNO2/c13-11(10-7-4-8-16-10)14-12(15)9-5-2-1-3-6-9/h1-8,11H,(H,14,15)
InChIKeyXXMNXOIKYORKKJ-UHFFFAOYSA-N
XLogP2.95
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2,2,2-trichloro-1-(furan-2-ylmethylamino)ethyl]benzamide
CID 4739398
N-[3-(furan-2-yl)-3-hydroxypropyl]benzamide
CID 90523674
2-(furan-2-yl)-2-[(4-methylbenzoyl)amino]acetic acid
CID 82089753
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N'-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetyl]benzohydrazide
CID 8919664
N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide
CID 8928135
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
4-(dimethylamino)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029302
3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928171
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[2,2-dichloro-1-(methylamino)ethyl]benzamide
CID 10868605
2,2-dibenzamidoacetic acid
CID 12521150

Frequently Asked Questions

What is the IUPAC name of N-[chloro(furan-2-yl)methyl]benzamide?
The IUPAC name of N-[chloro(furan-2-yl)methyl]benzamide (CID 174775719) is N-[chloro(furan-2-yl)methyl]benzamide.
What is the SMILES notation for N-[chloro(furan-2-yl)methyl]benzamide?
The canonical SMILES for N-[chloro(furan-2-yl)methyl]benzamide is O=C(NC(Cl)c1ccco1)c1ccccc1.
What is the InChIKey of N-[chloro(furan-2-yl)methyl]benzamide?
The InChIKey is XXMNXOIKYORKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c13-11(10-7-4-8-16-10)14-12(15)9-5-2-1-3-6-9/h1-8,11H,(H,14,15).
What are the key properties of N-[chloro(furan-2-yl)methyl]benzamide?
N-[chloro(furan-2-yl)methyl]benzamide has a molecular weight of 235.67 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(furan-2-yl)methyl]benzamide is sourced from PubChem (CID 174775719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).