5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide

C15H16ClNO2 — CID 82108737

IUPAC5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(C(C)Cl)o2)c1C
InChIInChI=1S/C15H16ClNO2/c1-9-5-4-6-12(10(9)2)17-15(18)14-8-7-13(19-14)11(3)16/h4-8,11H,1-3H3,(H,17,18)
InChIKeyUVPVZTYUBHPSGQ-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.45
Rot. Bonds3

About 5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide

5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide (PubChem CID 82108737) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide
PubChem CID82108737
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(C(C)Cl)o2)c1C
InChIInChI=1S/C15H16ClNO2/c1-9-5-4-6-12(10(9)2)17-15(18)14-8-7-13(19-14)11(3)16/h4-8,11H,1-3H3,(H,17,18)
InChIKeyUVPVZTYUBHPSGQ-UHFFFAOYSA-N
XLogP4.45
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(1-chloroethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide
CID 82110591
5-(1-chloroethyl)-N-(3-fluorophenyl)furan-2-carboxamide
CID 82109811
N-(2,3-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464286
N-(2,3-dimethylphenyl)-2-methyl-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110684721
5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 82344269
5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 675043
5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 82110940
5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 61090937
5-[(4-chloro-2-methylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19457390
N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 16547761
N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide
CID 19119023
N-(2,3-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 5307726

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide (CID 82108737) is 5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide is Cc1cccc(NC(=O)c2ccc(C(C)Cl)o2)c1C.
What is the InChIKey of 5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide?
The InChIKey is UVPVZTYUBHPSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-9-5-4-6-12(10(9)2)17-15(18)14-8-7-13(19-14)11(3)16/h4-8,11H,1-3H3,(H,17,18).
What are the key properties of 5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide?
5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-N-(2,3-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 82108737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).