N-[4-[(2-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide

C20H17ClN2O3 — CID 17403168

IUPACN-[4-[(2-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H17ClN2O3/c1-23(13-15-5-2-3-6-17(15)21)20(25)14-8-10-16(11-9-14)22-19(24)18-7-4-12-26-18/h2-12H,13H2,1H3,(H,22,24)
InChIKeyRRPOEJRAHRUTCJ-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.46
Rot. Bonds5

About N-[4-[(2-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide

N-[4-[(2-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 17403168) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID17403168
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC NameN-[4-[(2-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H17ClN2O3/c1-23(13-15-5-2-3-6-17(15)21)20(25)14-8-10-16(11-9-14)22-19(24)18-7-4-12-26-18/h2-12H,13H2,1H3,(H,22,24)
InChIKeyRRPOEJRAHRUTCJ-UHFFFAOYSA-N
XLogP4.46
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(2-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide (CID 17403168) is N-[4-[(2-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(2-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(2-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide is CN(Cc1ccccc1Cl)C(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[(2-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is RRPOEJRAHRUTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-23(13-15-5-2-3-6-17(15)21)20(25)14-8-10-16(11-9-14)22-19(24)18-7-4-12-26-18/h2-12H,13H2,1H3,(H,22,24).
What are the key properties of N-[4-[(2-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[4-[(2-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 17403168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).