2-chloro-5-(furan-2-carbonylamino)benzoate

C12H7ClNO4- — CID 7473194

IUPAC2-chloro-5-(furan-2-carbonylamino)benzoate
SMILESO=C(Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccco1
InChIInChI=1S/C12H8ClNO4/c13-9-4-3-7(6-8(9)12(16)17)14-11(15)10-2-1-5-18-10/h1-6H,(H,14,15)(H,16,17)/p-1
InChIKeyAUGQHMKOTUAOET-UHFFFAOYSA-M
MW264.64 g/mol
LogP1.55
Rot. Bonds3

About 2-chloro-5-(furan-2-carbonylamino)benzoate

2-chloro-5-(furan-2-carbonylamino)benzoate (PubChem CID 7473194) has the molecular formula C12H7ClNO4- and a molecular weight of 264.64 g/mol. Its IUPAC name is 2-chloro-5-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name2-chloro-5-(furan-2-carbonylamino)benzoate
PubChem CID7473194
Molecular FormulaC12H7ClNO4-
Molecular Weight264.64 g/mol
Exact Mass264.01
IUPAC Name2-chloro-5-(furan-2-carbonylamino)benzoate
SMILESO=C(Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccco1
InChIInChI=1S/C12H8ClNO4/c13-9-4-3-7(6-8(9)12(16)17)14-11(15)10-2-1-5-18-10/h1-6H,(H,14,15)(H,16,17)/p-1
InChIKeyAUGQHMKOTUAOET-UHFFFAOYSA-M
XLogP1.55
TPSA82.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.64
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-(furan-2-carbonylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide
CID 47385052
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-[3-[(2-chloro-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 40510567
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57105287
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide
CID 5090166
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]furan-2-carboxamide
CID 39193126

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(furan-2-carbonylamino)benzoate?
The IUPAC name of 2-chloro-5-(furan-2-carbonylamino)benzoate (CID 7473194) is 2-chloro-5-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for 2-chloro-5-(furan-2-carbonylamino)benzoate?
The canonical SMILES for 2-chloro-5-(furan-2-carbonylamino)benzoate is O=C(Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccco1.
What is the InChIKey of 2-chloro-5-(furan-2-carbonylamino)benzoate?
The InChIKey is AUGQHMKOTUAOET-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H8ClNO4/c13-9-4-3-7(6-8(9)12(16)17)14-11(15)10-2-1-5-18-10/h1-6H,(H,14,15)(H,16,17)/p-1.
What are the key properties of 2-chloro-5-(furan-2-carbonylamino)benzoate?
2-chloro-5-(furan-2-carbonylamino)benzoate has a molecular weight of 264.64 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 7473194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).