2-chloro-4,5-difluoro-N-[[2-(5-hydroxy-1H-imidazol-2-yl)phenyl]carbamoyl]benzamide

C17H11ClF2N4O3 — CID 175235857

IUPAC2-chloro-4,5-difluoro-N-[[2-(5-hydroxy-1H-imidazol-2-yl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1cc(F)c(F)cc1Cl)Nc1ccccc1-c1ncc(O)[nH]1
InChIInChI=1S/C17H11ClF2N4O3/c18-10-6-12(20)11(19)5-9(10)16(26)24-17(27)22-13-4-2-1-3-8(13)15-21-7-14(25)23-15/h1-7,25H,(H,21,23)(H2,22,24,26,27)
InChIKeyWDWQRMJDVNJOEV-UHFFFAOYSA-N
MW392.75 g/mol
LogP3.68
Rot. Bonds3

About 2-chloro-4,5-difluoro-N-[[2-(5-hydroxy-1H-imidazol-2-yl)phenyl]carbamoyl]benzamide

2-chloro-4,5-difluoro-N-[[2-(5-hydroxy-1H-imidazol-2-yl)phenyl]carbamoyl]benzamide (PubChem CID 175235857) has the molecular formula C17H11ClF2N4O3 and a molecular weight of 392.75 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-[[2-(5-hydroxy-1H-imidazol-2-yl)phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-[[2-(5-hydroxy-1H-imidazol-2-yl)phenyl]carbamoyl]benzamide
PubChem CID175235857
Molecular FormulaC17H11ClF2N4O3
Molecular Weight392.75 g/mol
Exact Mass392.05
IUPAC Name2-chloro-4,5-difluoro-N-[[2-(5-hydroxy-1H-imidazol-2-yl)phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1cc(F)c(F)cc1Cl)Nc1ccccc1-c1ncc(O)[nH]1
InChIInChI=1S/C17H11ClF2N4O3/c18-10-6-12(20)11(19)5-9(10)16(26)24-17(27)22-13-4-2-1-3-8(13)15-21-7-14(25)23-15/h1-7,25H,(H,21,23)(H2,22,24,26,27)
InChIKeyWDWQRMJDVNJOEV-UHFFFAOYSA-N
XLogP3.68
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.75
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4,5-difluoro-N-[[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-2-(trifluoromethoxy)phenyl]carbamoyl]benzamide
CID 135839376
2-chloro-N-[(2-chloro-5-nitrophenyl)carbamoyl]-4,5-difluorobenzamide
CID 11567289
2-chloro-N-[(2,5-dichloro-3-fluorophenyl)carbamoyl]benzamide
CID 86041132
N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide
CID 992682
5-chloro-N-(2-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114921898
4-fluoro-N-[2-(5-methyl-1H-imidazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 167790330
methyl (E)-3-[4-amino-2-[(2-chloro-4,5-difluorobenzoyl)carbamoylamino]phenyl]prop-2-enoate
CID 22139975
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide
CID 26264638
2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide
CID 78783752
4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid
CID 171463767
N-(2-butan-2-ylphenyl)-2-chloro-4,5-difluorobenzamide
CID 4779890
2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide
CID 1252541

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-[[2-(5-hydroxy-1H-imidazol-2-yl)phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-[[2-(5-hydroxy-1H-imidazol-2-yl)phenyl]carbamoyl]benzamide (CID 175235857) is 2-chloro-4,5-difluoro-N-[[2-(5-hydroxy-1H-imidazol-2-yl)phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-[[2-(5-hydroxy-1H-imidazol-2-yl)phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-[[2-(5-hydroxy-1H-imidazol-2-yl)phenyl]carbamoyl]benzamide is O=C(NC(=O)c1cc(F)c(F)cc1Cl)Nc1ccccc1-c1ncc(O)[nH]1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-[[2-(5-hydroxy-1H-imidazol-2-yl)phenyl]carbamoyl]benzamide?
The InChIKey is WDWQRMJDVNJOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N4O3/c18-10-6-12(20)11(19)5-9(10)16(26)24-17(27)22-13-4-2-1-3-8(13)15-21-7-14(25)23-15/h1-7,25H,(H,21,23)(H2,22,24,26,27).
What are the key properties of 2-chloro-4,5-difluoro-N-[[2-(5-hydroxy-1H-imidazol-2-yl)phenyl]carbamoyl]benzamide?
2-chloro-4,5-difluoro-N-[[2-(5-hydroxy-1H-imidazol-2-yl)phenyl]carbamoyl]benzamide has a molecular weight of 392.75 g/mol, XLogP of 3.68, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-[[2-(5-hydroxy-1H-imidazol-2-yl)phenyl]carbamoyl]benzamide is sourced from PubChem (CID 175235857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).