N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide

C15H17ClN2O2 — CID 124872786

IUPACN-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide
SMILESCN(C)C[C@H](NC(=O)c1ccoc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2/c1-18(2)9-14(11-3-5-13(16)6-4-11)17-15(19)12-7-8-20-10-12/h3-8,10,14H,9H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyVJWQWLJQQHRUSW-AWEZNQCLSA-N
MW292.77 g/mol
LogP2.97
Rot. Bonds5

About N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide

N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide (PubChem CID 124872786) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide
PubChem CID124872786
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide
SMILESCN(C)C[C@H](NC(=O)c1ccoc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2/c1-18(2)9-14(11-3-5-13(16)6-4-11)17-15(19)12-7-8-20-10-12/h3-8,10,14H,9H2,1-2H3,(H,17,19)/t14-/m0/s1
InChIKeyVJWQWLJQQHRUSW-AWEZNQCLSA-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

N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide
CID 41490385
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide
CID 113258885
N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
CID 75871852
N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 110898699
1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 100751884
(3R)-3-(4-bromophenyl)-3-(furan-3-carbonylamino)propanoic acid
CID 97209280
3-(4-bromophenyl)-3-(furan-3-carbonylamino)propanoic acid
CID 75417900
2-chloro-N-[2-(dimethylamino)-1-phenylethyl]furan-3-carboxamide
CID 106686543
(3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid
CID 97337496
1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 100752449
1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 78881674

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide (CID 124872786) is N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide is CN(C)C[C@H](NC(=O)c1ccoc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide?
The InChIKey is VJWQWLJQQHRUSW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-18(2)9-14(11-3-5-13(16)6-4-11)17-15(19)12-7-8-20-10-12/h3-8,10,14H,9H2,1-2H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide?
N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]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 N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide is sourced from PubChem (CID 124872786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).