N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide

C18H21ClN2O2 — CID 122182201

IUPACN-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide
SMILESCCC1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1
InChIInChI=1S/C18H21ClN2O2/c1-2-13-7-9-21(10-8-13)16-6-5-14(12-15(16)19)20-18(22)17-4-3-11-23-17/h3-6,11-13H,2,7-10H2,1H3,(H,20,22)
InChIKeyCPLIZTLWUGAREA-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.81
Rot. Bonds4

About N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide

N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 122182201) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide
PubChem CID122182201
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide
SMILESCCC1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1
InChIInChI=1S/C18H21ClN2O2/c1-2-13-7-9-21(10-8-13)16-6-5-14(12-15(16)19)20-18(22)17-4-3-11-23-17/h3-6,11-13H,2,7-10H2,1H3,(H,20,22)
InChIKeyCPLIZTLWUGAREA-UHFFFAOYSA-N
XLogP4.81
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide
CID 6957201
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
CID 2993823
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
CID 1092657
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 3161475
N-[3-cyano-4-(4-hydroxypiperidin-1-yl)phenyl]furan-2-carboxamide
CID 111485570
N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 86830485
N-[4-(4-benzylpiperidin-1-yl)-3-(2-methoxyethylcarbamoyl)phenyl]furan-2-carboxamide
CID 4042183
N-[4-(4-benzylpiperidin-1-yl)-3-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 42757286
N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 112985405
3,4-dichloro-N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 17118164
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
N-[2-chloro-4-[[methyl-[1-(1-methylpiperidin-4-yl)ethyl]carbamoyl]amino]phenyl]furan-2-carboxamide
CID 75449791

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide (CID 122182201) is N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide is CCC1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1.
What is the InChIKey of N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is CPLIZTLWUGAREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-2-13-7-9-21(10-8-13)16-6-5-14(12-15(16)19)20-18(22)17-4-3-11-23-17/h3-6,11-13H,2,7-10H2,1H3,(H,20,22).
What are the key properties of N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide?
N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-ethylpiperidin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 122182201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).