4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide

C12H12ClN3O3 — CID 18150991

IUPAC4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(CNC(=O)c1cc(Cl)c[nH]1)NCc1ccco1
InChIInChI=1S/C12H12ClN3O3/c13-8-4-10(14-5-8)12(18)16-7-11(17)15-6-9-2-1-3-19-9/h1-5,14H,6-7H2,(H,15,17)(H,16,18)
InChIKeyKLORTKWZIFNUKS-UHFFFAOYSA-N
MW281.70 g/mol
LogP1.31
Rot. Bonds5

About 4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide (PubChem CID 18150991) has the molecular formula C12H12ClN3O3 and a molecular weight of 281.70 g/mol. Its IUPAC name is 4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
PubChem CID18150991
Molecular FormulaC12H12ClN3O3
Molecular Weight281.70 g/mol
Exact Mass281.06
IUPAC Name4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(CNC(=O)c1cc(Cl)c[nH]1)NCc1ccco1
InChIInChI=1S/C12H12ClN3O3/c13-8-4-10(14-5-8)12(18)16-7-11(17)15-6-9-2-1-3-19-9/h1-5,14H,6-7H2,(H,15,17)(H,16,18)
InChIKeyKLORTKWZIFNUKS-UHFFFAOYSA-N
XLogP1.31
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichloroanilino)-N-(furan-2-ylmethyl)acetamide
CID 31666642
2-(2-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 24550973
2,3-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118972
3,5-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 9081404
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 18119049
2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 112992005
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 34241355
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3H-benzimidazole-5-carboxamide
CID 31638485
N-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 9079684
4-ethyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 17395333
2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 18101847
2-anilino-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 29238758

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide (CID 18150991) is 4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide is O=C(CNC(=O)c1cc(Cl)c[nH]1)NCc1ccco1.
What is the InChIKey of 4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is KLORTKWZIFNUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3/c13-8-4-10(14-5-8)12(18)16-7-11(17)15-6-9-2-1-3-19-9/h1-5,14H,6-7H2,(H,15,17)(H,16,18).
What are the key properties of 4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 281.70 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 18150991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).