2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide

C16H17ClN2O2 — CID 106685912

IUPAC2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCCC2)cc1)c1ccoc1Cl
InChIInChI=1S/C16H17ClN2O2/c17-15-14(7-10-21-15)16(20)18-13-5-3-12(4-6-13)11-19-8-1-2-9-19/h3-7,10H,1-2,8-9,11H2,(H,18,20)
InChIKeyREVKGMIGSBSEDT-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.78
Rot. Bonds4

About 2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide

2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide (PubChem CID 106685912) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide
PubChem CID106685912
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCCC2)cc1)c1ccoc1Cl
InChIInChI=1S/C16H17ClN2O2/c17-15-14(7-10-21-15)16(20)18-13-5-3-12(4-6-13)11-19-8-1-2-9-19/h3-7,10H,1-2,8-9,11H2,(H,18,20)
InChIKeyREVKGMIGSBSEDT-UHFFFAOYSA-N
XLogP3.78
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 19474862
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
2-chloro-5-phenylmethoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 72710604
2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 925691
2-chloro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide
CID 3306868
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)furan-3-carboxamide
CID 106686782
N-[4-(morpholin-4-ylmethyl)phenyl]-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950987
5-amino-N-[4-(azepan-1-ylmethyl)phenyl]-2-methylbenzamide;dihydrochloride
CID 120645609
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-chlorofuran-3-carboxamide
CID 106685995
2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 114327805

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide (CID 106685912) is 2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide is O=C(Nc1ccc(CN2CCCC2)cc1)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide?
The InChIKey is REVKGMIGSBSEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-15-14(7-10-21-15)16(20)18-13-5-3-12(4-6-13)11-19-8-1-2-9-19/h3-7,10H,1-2,8-9,11H2,(H,18,20).
What are the key properties of 2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide?
2-chloro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.78, 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-(pyrrolidin-1-ylmethyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 106685912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).