2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide

C18H19ClN2O3 — CID 136536492

IUPAC2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccoc1Cl
InChIInChI=1S/C18H19ClN2O3/c19-16-15(8-11-24-16)17(22)20-12-13-4-6-14(7-5-13)18(23)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,20,22)
InChIKeyASJIVCSBUQSRPZ-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.49
Rot. Bonds4

About 2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide

2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide (PubChem CID 136536492) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
PubChem CID136536492
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccoc1Cl
InChIInChI=1S/C18H19ClN2O3/c19-16-15(8-11-24-16)17(22)20-12-13-4-6-14(7-5-13)18(23)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,20,22)
InChIKeyASJIVCSBUQSRPZ-UHFFFAOYSA-N
XLogP3.49
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
CID 106686527
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide
CID 18153751
2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 46655948
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119694800
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 47029137
2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide
CID 118789869
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide
CID 26977124
6-methyl-2-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 78895539
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 106686763
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119274102

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide (CID 136536492) is 2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide is O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide?
The InChIKey is ASJIVCSBUQSRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c19-16-15(8-11-24-16)17(22)20-12-13-4-6-14(7-5-13)18(23)21-9-2-1-3-10-21/h4-8,11H,1-3,9-10,12H2,(H,20,22).
What are the key properties of 2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide?
2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide has a molecular weight of 346.81 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 136536492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).