2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide

C14H8Cl3FN2O2 — CID 86041132

IUPAC2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cc(Cl)cc(F)c1Cl
InChIInChI=1S/C14H8Cl3FN2O2/c15-7-5-10(18)12(17)11(6-7)19-14(22)20-13(21)8-3-1-2-4-9(8)16/h1-6H,(H2,19,20,21,22)
InChIKeyLHBJLXHKPIVHSY-UHFFFAOYSA-N
MW361.59 g/mol
LogP4.75
Rot. Bonds2

About 2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide

2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide (PubChem CID 86041132) has the molecular formula C14H8Cl3FN2O2 and a molecular weight of 361.59 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide
PubChem CID86041132
Molecular FormulaC14H8Cl3FN2O2
Molecular Weight361.59 g/mol
Exact Mass359.96
IUPAC Name2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1cc(Cl)cc(F)c1Cl
InChIInChI=1S/C14H8Cl3FN2O2/c15-7-5-10(18)12(17)11(6-7)19-14(22)20-13(21)8-3-1-2-4-9(8)16/h1-6H,(H2,19,20,21,22)
InChIKeyLHBJLXHKPIVHSY-UHFFFAOYSA-N
XLogP4.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.59
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide
CID 86041149
2-chloro-N-[[2,3-difluoro-4-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 19905527
2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide
CID 19934972
2-chloro-N-[(4,5-dichlorothiophen-2-yl)carbamoyl]benzamide
CID 14600661
2-chloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide
CID 22780153
2-chloro-N-[[3,5-dichloro-4-(4-chlorophenyl)sulfanylphenyl]carbamoyl]benzamide
CID 13186097
2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide
CID 4942210
2-chloro-N-[[2,3,6-trichloro-4-(2,4,5-trichlorophenoxy)phenyl]carbamoyl]benzamide
CID 19072795
2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfonylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19073005
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
2-[(5-chloro-2-fluorophenyl)carbamoylamino]benzoic acid
CID 61198828
2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfinylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19073071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide (CID 86041132) is 2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1cc(Cl)cc(F)c1Cl.
What is the InChIKey of 2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide?
The InChIKey is LHBJLXHKPIVHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3FN2O2/c15-7-5-10(18)12(17)11(6-7)19-14(22)20-13(21)8-3-1-2-4-9(8)16/h1-6H,(H2,19,20,21,22).
What are the key properties of 2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide?
2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide has a molecular weight of 361.59 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide is sourced from PubChem (CID 86041132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).