5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide

C15H15ClN2O3 — CID 86990026

IUPAC5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide
SMILESCCNC(=O)c1ccc(CNC(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C15H15ClN2O3/c1-2-17-14(19)11-5-3-10(4-6-11)9-18-15(20)12-7-8-13(16)21-12/h3-8H,2,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyNHVWVPGDMCVUCK-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.61
Rot. Bonds5

About 5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide

5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 86990026) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide
PubChem CID86990026
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide
SMILESCCNC(=O)c1ccc(CNC(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C15H15ClN2O3/c1-2-17-14(19)11-5-3-10(4-6-11)9-18-15(20)12-7-8-13(16)21-12/h3-8H,2,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyNHVWVPGDMCVUCK-UHFFFAOYSA-N
XLogP2.61
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide
CID 86986285
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
CID 32755354
5-chloro-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 103606891
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide
CID 32766645
N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041396
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119508521
N-[(4-chlorophenyl)methyl]-4-(ethylamino)benzamide
CID 62184890
5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide
CID 106385033

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide (CID 86990026) is 5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide is CCNC(=O)c1ccc(CNC(=O)c2ccc(Cl)o2)cc1.
What is the InChIKey of 5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is NHVWVPGDMCVUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-2-17-14(19)11-5-3-10(4-6-11)9-18-15(20)12-7-8-13(16)21-12/h3-8H,2,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide?
5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 86990026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).