N-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide

C22H15ClN2O3 — CID 991449

IUPACN-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)Nc1cccc2ccccc12)c1ccco1
InChIInChI=1S/C22H15ClN2O3/c23-15-10-11-19(25-22(27)20-9-4-12-28-20)17(13-15)21(26)24-18-8-3-6-14-5-1-2-7-16(14)18/h1-13H,(H,24,26)(H,25,27)
InChIKeySOUNUOGBYVDWDP-UHFFFAOYSA-N
MW390.83 g/mol
LogP5.59
Rot. Bonds4

About N-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide

N-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide (PubChem CID 991449) has the molecular formula C22H15ClN2O3 and a molecular weight of 390.83 g/mol. Its IUPAC name is N-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide
PubChem CID991449
Molecular FormulaC22H15ClN2O3
Molecular Weight390.83 g/mol
Exact Mass390.08
IUPAC NameN-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)Nc1cccc2ccccc12)c1ccco1
InChIInChI=1S/C22H15ClN2O3/c23-15-10-11-19(25-22(27)20-9-4-12-28-20)17(13-15)21(26)24-18-8-3-6-14-5-1-2-7-16(14)18/h1-13H,(H,24,26)(H,25,27)
InChIKeySOUNUOGBYVDWDP-UHFFFAOYSA-N
XLogP5.59
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.83
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
2,5-dichloro-N-naphthalen-1-ylbenzamide
CID 2166526
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722967
N-[2-[(2-chlorophenyl)carbamoyl]-4-iodophenyl]furan-2-carboxamide
CID 1305585
6-chloro-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 792586
N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide
CID 55932482
N-[2,4-dichloro-6-[(2-ethylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 40612796
methyl 4-chloro-2-(furan-2-carbonylamino)benzoate
CID 60630180
N-(4-aminonaphthalen-1-yl)furan-2-carboxamide
CID 54481080
N-[2-(benzylcarbamoyl)-4-chlorophenyl]-2,4-dichlorobenzamide
CID 2192424
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide (CID 991449) is N-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1C(=O)Nc1cccc2ccccc12)c1ccco1.
What is the InChIKey of N-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide?
The InChIKey is SOUNUOGBYVDWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3/c23-15-10-11-19(25-22(27)20-9-4-12-28-20)17(13-15)21(26)24-18-8-3-6-14-5-1-2-7-16(14)18/h1-13H,(H,24,26)(H,25,27).
What are the key properties of N-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide?
N-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide has a molecular weight of 390.83 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(naphthalen-1-ylcarbamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 991449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).