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

C15H13ClF2N2O6 — CID 175239371

IUPAC4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-(difluoromethyl)furan-2-carboxylic acid
SMILESCOc1cc(OC)c(NC(=O)Nc2cc(C(=O)O)oc2C(F)F)cc1Cl
InChIInChI=1S/C15H13ClF2N2O6/c1-24-9-5-10(25-2)7(3-6(9)16)19-15(23)20-8-4-11(14(21)22)26-12(8)13(17)18/h3-5,13H,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyOHNQZCDWHMWQNW-UHFFFAOYSA-N
MW390.73 g/mol
LogP4.23
Rot. Bonds6

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

4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-(difluoromethyl)furan-2-carboxylic acid (PubChem CID 175239371) has the molecular formula C15H13ClF2N2O6 and a molecular weight of 390.73 g/mol. Its IUPAC name is 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-(difluoromethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-(difluoromethyl)furan-2-carboxylic acid
PubChem CID175239371
Molecular FormulaC15H13ClF2N2O6
Molecular Weight390.73 g/mol
Exact Mass390.04
IUPAC Name4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-(difluoromethyl)furan-2-carboxylic acid
SMILESCOc1cc(OC)c(NC(=O)Nc2cc(C(=O)O)oc2C(F)F)cc1Cl
InChIInChI=1S/C15H13ClF2N2O6/c1-24-9-5-10(25-2)7(3-6(9)16)19-15(23)20-8-4-11(14(21)22)26-12(8)13(17)18/h3-5,13H,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyOHNQZCDWHMWQNW-UHFFFAOYSA-N
XLogP4.23
TPSA110.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.73
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid
CID 174451104
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3,4-difluorophenyl)urea
CID 54161267
(2S)-3-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107837958
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099
N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide
CID 17172995
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 50827293
1-(5-chloro-2,4-dimethoxyphenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 11246047
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-phenylethyl)benzamide
CID 1249675
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7751403

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-(difluoromethyl)furan-2-carboxylic acid?
The IUPAC name of 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-(difluoromethyl)furan-2-carboxylic acid (CID 175239371) is 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-(difluoromethyl)furan-2-carboxylic acid.
What is the SMILES notation for 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-(difluoromethyl)furan-2-carboxylic acid?
The canonical SMILES for 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-(difluoromethyl)furan-2-carboxylic acid is COc1cc(OC)c(NC(=O)Nc2cc(C(=O)O)oc2C(F)F)cc1Cl.
What is the InChIKey of 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-(difluoromethyl)furan-2-carboxylic acid?
The InChIKey is OHNQZCDWHMWQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O6/c1-24-9-5-10(25-2)7(3-6(9)16)19-15(23)20-8-4-11(14(21)22)26-12(8)13(17)18/h3-5,13H,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of 4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-(difluoromethyl)furan-2-carboxylic acid?
4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-(difluoromethyl)furan-2-carboxylic acid has a molecular weight of 390.73 g/mol, XLogP of 4.23, 6 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-(difluoromethyl)furan-2-carboxylic acid is sourced from PubChem (CID 175239371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).