6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide

C22H18ClFN2O3 — CID 87444046

IUPAC6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide
SMILESCc1ccc(Cl)c(C(=O)Nc2ccc(C(C(=O)NO)c3ccccc3)cc2)c1F
InChIInChI=1S/C22H18ClFN2O3/c1-13-7-12-17(23)19(20(13)24)21(27)25-16-10-8-15(9-11-16)18(22(28)26-29)14-5-3-2-4-6-14/h2-12,18,29H,1H3,(H,25,27)(H,26,28)
InChIKeySZBRTHFWMFSAKU-UHFFFAOYSA-N
MW412.85 g/mol
LogP4.68
Rot. Bonds5

About 6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide

6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide (PubChem CID 87444046) has the molecular formula C22H18ClFN2O3 and a molecular weight of 412.85 g/mol. Its IUPAC name is 6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound Name6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide
PubChem CID87444046
Molecular FormulaC22H18ClFN2O3
Molecular Weight412.85 g/mol
Exact Mass412.10
IUPAC Name6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide
SMILESCc1ccc(Cl)c(C(=O)Nc2ccc(C(C(=O)NO)c3ccccc3)cc2)c1F
InChIInChI=1S/C22H18ClFN2O3/c1-13-7-12-17(23)19(20(13)24)21(27)25-16-10-8-15(9-11-16)18(22(28)26-29)14-5-3-2-4-6-14/h2-12,18,29H,1H3,(H,25,27)(H,26,28)
InChIKeySZBRTHFWMFSAKU-UHFFFAOYSA-N
XLogP4.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-fluoro-3-methyl-N-pyridin-4-ylbenzamide
CID 59618078
2,4-dichloro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide
CID 135320601
N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide
CID 87444428
N-(3-fluoro-4-methylphenyl)-2,2-diphenylacetamide
CID 676006
N-hydroxy-2-[4-(4-methylnaphthalen-1-yl)phenyl]-2-phenylacetamide
CID 135320437
2-[3-(4-chloro-3-fluorophenyl)phenyl]-N-hydroxy-2-phenylacetamide
CID 135320326
N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-4-(trifluoromethoxy)benzamide
CID 87444403
2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid
CID 13059785
N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide
CID 135320550
2-[4-[(4-chlorophenyl)methylamino]phenyl]-N-hydroxy-2-phenylacetamide
CID 25155891
N-hydroxy-2-phenyl-2-[4-(2-pyrrol-1-ylethylamino)phenyl]acetamide
CID 135320184
3-amino-6-chloro-2-methyl-N-phenylbenzamide
CID 86676286

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide?
The IUPAC name of 6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide (CID 87444046) is 6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for 6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide?
The canonical SMILES for 6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide is Cc1ccc(Cl)c(C(=O)Nc2ccc(C(C(=O)NO)c3ccccc3)cc2)c1F.
What is the InChIKey of 6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide?
The InChIKey is SZBRTHFWMFSAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O3/c1-13-7-12-17(23)19(20(13)24)21(27)25-16-10-8-15(9-11-16)18(22(28)26-29)14-5-3-2-4-6-14/h2-12,18,29H,1H3,(H,25,27)(H,26,28).
What are the key properties of 6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide?
6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide has a molecular weight of 412.85 g/mol, XLogP of 4.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-fluoro-N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 87444046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).