N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide

C20H16ClNO5 — CID 2989497

IUPACN-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccco2)c(C(=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C20H16ClNO5/c1-25-17-10-13(19(23)12-6-3-4-7-14(12)21)15(11-18(17)26-2)22-20(24)16-8-5-9-27-16/h3-11H,1-2H3,(H,22,24)
InChIKeyGBLAILGGTQJUNJ-UHFFFAOYSA-N
MW385.80 g/mol
LogP4.43
Rot. Bonds6

About N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide

N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide (PubChem CID 2989497) has the molecular formula C20H16ClNO5 and a molecular weight of 385.80 g/mol. Its IUPAC name is N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide
PubChem CID2989497
Molecular FormulaC20H16ClNO5
Molecular Weight385.80 g/mol
Exact Mass385.07
IUPAC NameN-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccco2)c(C(=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C20H16ClNO5/c1-25-17-10-13(19(23)12-6-3-4-7-14(12)21)15(11-18(17)26-2)22-20(24)16-8-5-9-27-16/h3-11H,1-2H3,(H,22,24)
InChIKeyGBLAILGGTQJUNJ-UHFFFAOYSA-N
XLogP4.43
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(3-chloro-4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 24536405
2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 24530674
N-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119501659
N-[4,5-dimethoxy-2-[[(2R)-2-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9456873
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 30758901
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534409
[2-(carbamoylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534373
methyl 4-chloro-2-(furan-2-carbonylamino)benzoate
CID 60630180
N-[2-[(2,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1026612
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 2357066
N-[2-(2-chlorophenoxy)phenyl]furan-2-carboxamide
CID 17468939
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide (CID 2989497) is N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide is COc1cc(NC(=O)c2ccco2)c(C(=O)c2ccccc2Cl)cc1OC.
What is the InChIKey of N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide?
The InChIKey is GBLAILGGTQJUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO5/c1-25-17-10-13(19(23)12-6-3-4-7-14(12)21)15(11-18(17)26-2)22-20(24)16-8-5-9-27-16/h3-11H,1-2H3,(H,22,24).
What are the key properties of N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide?
N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide has a molecular weight of 385.80 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 2989497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).