5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid

C20H16ClNO5 — CID 20993932

IUPAC5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(OCc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C20H16ClNO5/c1-12-16(21)3-2-4-17(12)22-19(23)13-5-7-14(8-6-13)26-11-15-9-10-18(27-15)20(24)25/h2-10H,11H2,1H3,(H,22,23)(H,24,25)
InChIKeyXHAUQBDWBVLMBM-UHFFFAOYSA-N
MW385.80 g/mol
LogP4.77
Rot. Bonds6

About 5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid

5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid (PubChem CID 20993932) has the molecular formula C20H16ClNO5 and a molecular weight of 385.80 g/mol. Its IUPAC name is 5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
PubChem CID20993932
Molecular FormulaC20H16ClNO5
Molecular Weight385.80 g/mol
Exact Mass385.07
IUPAC Name5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(OCc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C20H16ClNO5/c1-12-16(21)3-2-4-17(12)22-19(23)13-5-7-14(8-6-13)26-11-15-9-10-18(27-15)20(24)25/h2-10H,11H2,1H3,(H,22,23)(H,24,25)
InChIKeyXHAUQBDWBVLMBM-UHFFFAOYSA-N
XLogP4.77
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.80
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19446073
5-[[4-[(4-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid
CID 22684918
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7468764
N-(2-chlorophenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7679417
N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide
CID 3562657
5-[(4-tert-butylphenoxy)methyl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 19450723
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
N-[(3-chloro-2-methylphenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 22775730
N-(3-chloro-2-methylphenyl)-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 46277613
N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 16547761
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131
N-(2,3-dimethylphenyl)-4-(phenoxymethyl)benzamide
CID 7946940

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid (CID 20993932) is 5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid is Cc1c(Cl)cccc1NC(=O)c1ccc(OCc2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid?
The InChIKey is XHAUQBDWBVLMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO5/c1-12-16(21)3-2-4-17(12)22-19(23)13-5-7-14(8-6-13)26-11-15-9-10-18(27-15)20(24)25/h2-10H,11H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid?
5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid has a molecular weight of 385.80 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 20993932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).