4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid

C13H12F2N2O4 — CID 70189415

IUPAC4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid
SMILESNC(=O)c1ccc(N)cc1.O=C(O)c1ccc(C(F)F)o1
InChIInChI=1S/C7H8N2O.C6H4F2O3/c8-6-3-1-5(2-4-6)7(9)10;7-5(8)3-1-2-4(11-3)6(9)10/h1-4H,8H2,(H2,9,10);1-2,5H,(H,9,10)
InChIKeyYBGHHCLHDSBDIH-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.28
Rot. Bonds3

About 4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid

4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid (PubChem CID 70189415) has the molecular formula C13H12F2N2O4 and a molecular weight of 298.25 g/mol. Its IUPAC name is 4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid
PubChem CID70189415
Molecular FormulaC13H12F2N2O4
Molecular Weight298.25 g/mol
Exact Mass298.08
IUPAC Name4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid
SMILESNC(=O)c1ccc(N)cc1.O=C(O)c1ccc(C(F)F)o1
InChIInChI=1S/C7H8N2O.C6H4F2O3/c8-6-3-1-5(2-4-6)7(9)10;7-5(8)3-1-2-4(11-3)6(9)10/h1-4H,8H2,(H2,9,10);1-2,5H,(H,9,10)
InChIKeyYBGHHCLHDSBDIH-UHFFFAOYSA-N
XLogP2.28
TPSA119.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid
CID 21188202
benzene-1,4-diamine;furan-2,5-dicarboxylic acid
CID 160946255
4-aminobenzamide;1-benzofuran-2-carboxylic acid
CID 70131943
4-aminobenzamide;methanol
CID 144801245
5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid
CID 171867797
benzene-1,3-diamine;furan-2,5-dicarboxylic acid
CID 175422690
4-(4-aminophenyl)sulfanylbenzamide
CID 68503795
hexakis(4-aminobenzoic acid);tris(1,4,7,10,13,16-hexaoxacyclooctadecane)
CID 139064226
4-aminobenzoic acid;hydrofluoride
CID 159690577
furan-2,5-dicarboxylic acid;indigane
CID 174700126
4-amino-2-[(4-carbamoylphenyl)methoxy]benzoic acid
CID 106954770
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid?
The IUPAC name of 4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid (CID 70189415) is 4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid.
What is the SMILES notation for 4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid?
The canonical SMILES for 4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid is NC(=O)c1ccc(N)cc1.O=C(O)c1ccc(C(F)F)o1.
What is the InChIKey of 4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid?
The InChIKey is YBGHHCLHDSBDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C6H4F2O3/c8-6-3-1-5(2-4-6)7(9)10;7-5(8)3-1-2-4(11-3)6(9)10/h1-4H,8H2,(H2,9,10);1-2,5H,(H,9,10).
What are the key properties of 4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid?
4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid has a molecular weight of 298.25 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzamide;5-(difluoromethyl)furan-2-carboxylic acid is sourced from PubChem (CID 70189415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).