5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide

C21H21ClN2O2 — CID 24504342

IUPAC5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide
SMILESCN(C)CC(NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1
InChIInChI=1S/C21H21ClN2O2/c1-24(2)14-18(15-6-4-3-5-7-15)23-21(25)20-13-12-19(26-20)16-8-10-17(22)11-9-16/h3-13,18H,14H2,1-2H3,(H,23,25)
InChIKeyJULCNQLVYGOHIV-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.63
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide

5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide (PubChem CID 24504342) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide
PubChem CID24504342
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide
SMILESCN(C)CC(NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1
InChIInChI=1S/C21H21ClN2O2/c1-24(2)14-18(15-6-4-3-5-7-15)23-21(25)20-13-12-19(26-20)16-8-10-17(22)11-9-16/h3-13,18H,14H2,1-2H3,(H,23,25)
InChIKeyJULCNQLVYGOHIV-UHFFFAOYSA-N
XLogP4.63
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.63
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
5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide
CID 16602950
2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide
CID 106686543
1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 78881674
5-bromo-N-[2-[[(1S)-2-(dimethylamino)-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 8936906
2-(4-chlorophenoxy)-N-[(1R)-2-(dimethylamino)-1-phenylethyl]acetamide
CID 8936319
5-(4-chlorophenyl)-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 24639226
5-(4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
CID 91678227
N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide
CID 124872786
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 95733498
4-chloro-N-[4-[[2-(dimethylamino)-1-phenylethyl]amino]-4-oxobutyl]benzamide
CID 86909670
N-(1-hydroxypropan-2-yl)-5-phenylfuran-2-carboxamide
CID 82118234

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide (CID 24504342) is 5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide is CN(C)CC(NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide?
The InChIKey is JULCNQLVYGOHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-24(2)14-18(15-6-4-3-5-7-15)23-21(25)20-13-12-19(26-20)16-8-10-17(22)11-9-16/h3-13,18H,14H2,1-2H3,(H,23,25).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide?
5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide has a molecular weight of 368.86 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide is sourced from PubChem (CID 24504342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).