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

C19H15ClN2O3 — CID 1314948

IUPACN-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C19H15ClN2O3/c20-14-9-7-13(8-10-14)12-21-18(23)15-4-1-2-5-16(15)22-19(24)17-6-3-11-25-17/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyNVWRSONUERMFNV-UHFFFAOYSA-N
MW354.79 g/mol
LogP4.12
Rot. Bonds5

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

N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 1314948) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID1314948
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC NameN-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccc(Cl)cc1)c1ccco1
InChIInChI=1S/C19H15ClN2O3/c20-14-9-7-13(8-10-14)12-21-18(23)15-4-1-2-5-16(15)22-19(24)17-6-3-11-25-17/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyNVWRSONUERMFNV-UHFFFAOYSA-N
XLogP4.12
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide (CID 1314948) is N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1ccccc1C(=O)NCc1ccc(Cl)cc1)c1ccco1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is NVWRSONUERMFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c20-14-9-7-13(8-10-14)12-21-18(23)15-4-1-2-5-16(15)22-19(24)17-6-3-11-25-17/h1-11H,12H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide?
N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 354.79 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1314948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).