N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide

C14H13ClN2O3 — CID 47385052

IUPACN-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1Cl
InChIInChI=1S/C14H13ClN2O3/c1-17(2)14(19)10-6-5-9(8-11(10)15)16-13(18)12-4-3-7-20-12/h3-8H,1-2H3,(H,16,18)
InChIKeyDQXPEIITURFBLC-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.89
Rot. Bonds3

About N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide

N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 47385052) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID47385052
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC NameN-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide
SMILESCN(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1Cl
InChIInChI=1S/C14H13ClN2O3/c1-17(2)14(19)10-6-5-9(8-11(10)15)16-13(18)12-4-3-7-20-12/h3-8H,1-2H3,(H,16,18)
InChIKeyDQXPEIITURFBLC-UHFFFAOYSA-N
XLogP2.89
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(furan-2-carbonylamino)benzoate
CID 7473194
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
2-[[2-chloro-4-(furan-2-carbonylamino)benzoyl]amino]-4-methylpentanoic acid
CID 23851190
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 91676109
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57105287
N-[4-[(4-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17403165
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]furan-2-carboxamide
CID 2993823
N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 24536405

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide (CID 47385052) is N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide is CN(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is DQXPEIITURFBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-17(2)14(19)10-6-5-9(8-11(10)15)16-13(18)12-4-3-7-20-12/h3-8H,1-2H3,(H,16,18).
What are the key properties of N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide?
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 292.72 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 47385052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).