2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide

C14H13ClN2O3 — CID 106686527

IUPAC2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2ccoc2Cl)cc1
InChIInChI=1S/C14H13ClN2O3/c1-16-13(18)10-4-2-9(3-5-10)8-17-14(19)11-6-7-20-12(11)15/h2-7H,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyWYBSFZQEWXAGCX-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.22
Rot. Bonds4

About 2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide

2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide (PubChem CID 106686527) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
PubChem CID106686527
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2ccoc2Cl)cc1
InChIInChI=1S/C14H13ClN2O3/c1-16-13(18)10-4-2-9(3-5-10)8-17-14(19)11-6-7-20-12(11)15/h2-7H,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyWYBSFZQEWXAGCX-UHFFFAOYSA-N
XLogP2.22
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 106686763
2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 136536492
2-bromo-N-[(4-chlorophenyl)methyl]furan-3-carboxamide
CID 106852538
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
2-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)furan-3-carboxamide
CID 106688632
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 47160867
3-fluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
CID 115645741
N-[(3-carbamothioylphenyl)methyl]-2-chlorofuran-3-carboxamide
CID 106684933
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide
CID 106686991
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
CID 145404666
N-(2-aminopropyl)-2-chlorofuran-3-carboxamide
CID 106688502

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide (CID 106686527) is 2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide is CNC(=O)c1ccc(CNC(=O)c2ccoc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide?
The InChIKey is WYBSFZQEWXAGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-16-13(18)10-4-2-9(3-5-10)8-17-14(19)11-6-7-20-12(11)15/h2-7H,8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide?
2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide has a molecular weight of 292.72 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 106686527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).