4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid

C15H15ClN2O6 — CID 174451104

IUPAC4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid
SMILESCOc1cc(OC)c(NC(=O)Nc2cc(C(=O)O)oc2C)cc1Cl
InChIInChI=1S/C15H15ClN2O6/c1-7-9(5-13(24-7)14(19)20)17-15(21)18-10-4-8(16)11(22-2)6-12(10)23-3/h4-6H,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyZPPPYKVROSMXCM-UHFFFAOYSA-N
MW354.75 g/mol
LogP3.60
Rot. Bonds5

About 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid

4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid (PubChem CID 174451104) has the molecular formula C15H15ClN2O6 and a molecular weight of 354.75 g/mol. Its IUPAC name is 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid
PubChem CID174451104
Molecular FormulaC15H15ClN2O6
Molecular Weight354.75 g/mol
Exact Mass354.06
IUPAC Name4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid
SMILESCOc1cc(OC)c(NC(=O)Nc2cc(C(=O)O)oc2C)cc1Cl
InChIInChI=1S/C15H15ClN2O6/c1-7-9(5-13(24-7)14(19)20)17-15(21)18-10-4-8(16)11(22-2)6-12(10)23-3/h4-6H,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyZPPPYKVROSMXCM-UHFFFAOYSA-N
XLogP3.60
TPSA110.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.75
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-(difluoromethyl)furan-2-carboxylic acid
CID 175239371
N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide
CID 17172995
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827293
(2S)-3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107837958
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea
CID 54161267
1-amino-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 43163908
trans-(1S,2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210572
trans-(1R,2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 26210573
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099
4-(5-chloro-2,4-dimethoxyanilino)-4-oxobut-2-enoic acid
CID 2803499
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid (CID 174451104) is 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid is COc1cc(OC)c(NC(=O)Nc2cc(C(=O)O)oc2C)cc1Cl.
What is the InChIKey of 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid?
The InChIKey is ZPPPYKVROSMXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O6/c1-7-9(5-13(24-7)14(19)20)17-15(21)18-10-4-8(16)11(22-2)6-12(10)23-3/h4-6H,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid?
4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid has a molecular weight of 354.75 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 174451104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).