2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide

C15H17ClN2O2 — CID 106686543

IUPAC2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide
SMILESCN(C)CC(NC(=O)c1ccoc1Cl)c1ccccc1
InChIInChI=1S/C15H17ClN2O2/c1-18(2)10-13(11-6-4-3-5-7-11)17-15(19)12-8-9-20-14(12)16/h3-9,13H,10H2,1-2H3,(H,17,19)
InChIKeyHGMPPOKYIZOXLU-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.97
Rot. Bonds5

About 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide

2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide (PubChem CID 106686543) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide
PubChem CID106686543
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide
SMILESCN(C)CC(NC(=O)c1ccoc1Cl)c1ccccc1
InChIInChI=1S/C15H17ClN2O2/c1-18(2)10-13(11-6-4-3-5-7-11)17-15(19)12-8-9-20-14(12)16/h3-9,13H,10H2,1-2H3,(H,17,19)
InChIKeyHGMPPOKYIZOXLU-UHFFFAOYSA-N
XLogP2.97
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
2-chloro-N-[2-(dimethylamino)-1-phenylethyl]-5-methylsulfonylbenzamide
CID 78819751
N-[2-(dimethylamino)-1-phenylethyl]-2,3-dimethylbenzamide
CID 78819640
5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide
CID 24504342
4-amino-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92606092
4-amino-N-[(1R)-2-(dimethylamino)-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 92606094
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 34464052
N-[2-(dimethylamino)-1-phenylethyl]-6-methylpyridine-2-carboxamide
CID 78845972
1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 78881674
N-[2-(dimethylamino)-1-phenylethyl]-1-methylindole-3-carboxamide
CID 24504351
2-amino-N-[2-(dimethylamino)-1-phenylethyl]butanamide
CID 61248731
N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide
CID 124872786

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide (CID 106686543) is 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide is CN(C)CC(NC(=O)c1ccoc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide?
The InChIKey is HGMPPOKYIZOXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-18(2)10-13(11-6-4-3-5-7-11)17-15(19)12-8-9-20-14(12)16/h3-9,13H,10H2,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide?
2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide is sourced from PubChem (CID 106686543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).