2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide

C14H10ClFN2O4 — CID 11681381

IUPAC2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide
SMILESO=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc(O)c(O)c1
InChIInChI=1S/C14H10ClFN2O4/c15-10-5-7(16)1-3-9(10)13(21)18-14(22)17-8-2-4-11(19)12(20)6-8/h1-6,19-20H,(H2,17,18,21,22)
InChIKeyQDEMMBFTFIHBQE-UHFFFAOYSA-N
MW324.70 g/mol
LogP2.85
Rot. Bonds2

About 2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide

2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide (PubChem CID 11681381) has the molecular formula C14H10ClFN2O4 and a molecular weight of 324.70 g/mol. Its IUPAC name is 2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide
PubChem CID11681381
Molecular FormulaC14H10ClFN2O4
Molecular Weight324.70 g/mol
Exact Mass324.03
IUPAC Name2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide
SMILESO=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc(O)c(O)c1
InChIInChI=1S/C14H10ClFN2O4/c15-10-5-7(16)1-3-9(10)13(21)18-14(22)17-8-2-4-11(19)12(20)6-8/h1-6,19-20H,(H2,17,18,21,22)
InChIKeyQDEMMBFTFIHBQE-UHFFFAOYSA-N
XLogP2.85
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.70
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide 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

2-amino-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid
CID 11544848
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydroquinolin-7-ylcarbamoyl)benzamide
CID 11530352
3-chloro-4-[(2-chloro-4-fluorobenzoyl)carbamoylamino]benzoic acid
CID 11617637
N-(3-chloro-4-hydroxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 115299202
2-chloro-4-[(4-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 107013493
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide
CID 6470489
2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide
CID 13251606
N-(3-bromophenyl)-2-chloro-4-fluorobenzamide
CID 24699810
4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide (CID 11681381) is 2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide is O=C(NC(=O)c1ccc(F)cc1Cl)Nc1ccc(O)c(O)c1.
What is the InChIKey of 2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide?
The InChIKey is QDEMMBFTFIHBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O4/c15-10-5-7(16)1-3-9(10)13(21)18-14(22)17-8-2-4-11(19)12(20)6-8/h1-6,19-20H,(H2,17,18,21,22).
What are the key properties of 2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide?
2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide has a molecular weight of 324.70 g/mol, XLogP of 2.85, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,4-dihydroxyphenyl)carbamoyl]-4-fluorobenzamide is sourced from PubChem (CID 11681381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).