5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide

C10H9ClN2O2 — CID 106385033

IUPAC5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cc[nH]c1)c1ccc(Cl)o1
InChIInChI=1S/C10H9ClN2O2/c11-9-2-1-8(15-9)10(14)13-6-7-3-4-12-5-7/h1-5,12H,6H2,(H,13,14)
InChIKeyFFLDVMDBSAABBA-UHFFFAOYSA-N
MW224.65 g/mol
LogP2.19
Rot. Bonds3

About 5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide

5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide (PubChem CID 106385033) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide
PubChem CID106385033
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cc[nH]c1)c1ccc(Cl)o1
InChIInChI=1S/C10H9ClN2O2/c11-9-2-1-8(15-9)10(14)13-6-7-3-4-12-5-7/h1-5,12H,6H2,(H,13,14)
InChIKeyFFLDVMDBSAABBA-UHFFFAOYSA-N
XLogP2.19
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
CID 32755354
5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide
CID 103612091
5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098591
5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 86990026
5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide
CID 32766645
5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 29475175
3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385065
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
5-bromo-N-[2-(1H-pyrrol-3-yl)ethyl]furan-2-carboxamide
CID 110795686
2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385030
5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65109429
3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide
CID 106385570

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide (CID 106385033) is 5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide is O=C(NCc1cc[nH]c1)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide?
The InChIKey is FFLDVMDBSAABBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c11-9-2-1-8(15-9)10(14)13-6-7-3-4-12-5-7/h1-5,12H,6H2,(H,13,14).
What are the key properties of 5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide?
5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide has a molecular weight of 224.65 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 106385033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).