5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide

C14H15ClN2O2 — CID 32755354

IUPAC5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C14H15ClN2O2/c1-17(2)11-5-3-10(4-6-11)9-16-14(18)12-7-8-13(15)19-12/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyHCWFDQWITKPXHK-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.93
Rot. Bonds4

About 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide

5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide (PubChem CID 32755354) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
PubChem CID32755354
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C14H15ClN2O2/c1-17(2)11-5-3-10(4-6-11)9-16-14(18)12-7-8-13(15)19-12/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyHCWFDQWITKPXHK-UHFFFAOYSA-N
XLogP2.93
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 86990026
5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide
CID 32766645
1-[(4-chlorophenyl)methyl]-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 38949051
N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide
CID 86986285
5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide
CID 106385033
5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide
CID 103612091
3,6-dichloro-N-[[4-(dimethylamino)phenyl]methyl]pyridine-2-carboxamide
CID 26819882
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463
4-(dimethylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 669457
5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 29475175
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide (CID 32755354) is 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide is CN(C)c1ccc(CNC(=O)c2ccc(Cl)o2)cc1.
What is the InChIKey of 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide?
The InChIKey is HCWFDQWITKPXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-17(2)11-5-3-10(4-6-11)9-16-14(18)12-7-8-13(15)19-12/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide?
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 32755354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).