4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate

C20H15ClNO5- — CID 4050771

IUPAC4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate
SMILESCc1cc(OCc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)o2)ccc1Cl
InChIInChI=1S/C20H16ClNO5/c1-12-10-15(6-8-17(12)21)26-11-16-7-9-18(27-16)19(23)22-14-4-2-13(3-5-14)20(24)25/h2-10H,11H2,1H3,(H,22,23)(H,24,25)/p-1
InChIKeyNDVLAYBAROYAKJ-UHFFFAOYSA-M
MW384.80 g/mol
LogP3.44
Rot. Bonds6

About 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate

4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate (PubChem CID 4050771) has the molecular formula C20H15ClNO5- and a molecular weight of 384.80 g/mol. Its IUPAC name is 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Name4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate
PubChem CID4050771
Molecular FormulaC20H15ClNO5-
Molecular Weight384.80 g/mol
Exact Mass384.06
IUPAC Name4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate
SMILESCc1cc(OCc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)o2)ccc1Cl
InChIInChI=1S/C20H16ClNO5/c1-12-10-15(6-8-17(12)21)26-11-16-7-9-18(27-16)19(23)22-14-4-2-13(3-5-14)20(24)25/h2-10H,11H2,1H3,(H,22,23)(H,24,25)/p-1
InChIKeyNDVLAYBAROYAKJ-UHFFFAOYSA-M
XLogP3.44
TPSA91.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19416966
5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 4605258
N-(3,4-dichlorophenyl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450784
5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19416979
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-5-nitrophenyl)furan-2-carboxamide
CID 19417030
5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19416952
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 19416994
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
5-[(4-chloro-3-methylphenoxy)methyl]-N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]furan-2-carboxamide
CID 19417043
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide
CID 1084332
5-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)furan-2-carboxamide
CID 5151114
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate?
The IUPAC name of 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate (CID 4050771) is 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate.
What is the SMILES notation for 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate?
The canonical SMILES for 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate is Cc1cc(OCc2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)o2)ccc1Cl.
What is the InChIKey of 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate?
The InChIKey is NDVLAYBAROYAKJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H16ClNO5/c1-12-10-15(6-8-17(12)21)26-11-16-7-9-18(27-16)19(23)22-14-4-2-13(3-5-14)20(24)25/h2-10H,11H2,1H3,(H,22,23)(H,24,25)/p-1.
What are the key properties of 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate?
4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate has a molecular weight of 384.80 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate is sourced from PubChem (CID 4050771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).