4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

C15H10ClFN2O2 — CID 25474421

IUPAC4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(Cl)cc3F)ccc2o1
InChIInChI=1S/C15H10ClFN2O2/c1-8-18-13-7-10(3-5-14(13)21-8)19-15(20)11-4-2-9(16)6-12(11)17/h2-7H,1H3,(H,19,20)
InChIKeyRCCQILDNYCFKAE-UHFFFAOYSA-N
MW304.71 g/mol
LogP4.18
Rot. Bonds2

About 4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide

4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 25474421) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
PubChem CID25474421
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1nc2cc(NC(=O)c3ccc(Cl)cc3F)ccc2o1
InChIInChI=1S/C15H10ClFN2O2/c1-8-18-13-7-10(3-5-14(13)21-8)19-15(20)11-4-2-9(16)6-12(11)17/h2-7H,1H3,(H,19,20)
InChIKeyRCCQILDNYCFKAE-UHFFFAOYSA-N
XLogP4.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide
CID 37040651
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625344
5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 61292124
2,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1085270
5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 60655081
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474428
2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 62059208
4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 166401291
1-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 39677997
5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34749993

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide (CID 25474421) is 4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is Cc1nc2cc(NC(=O)c3ccc(Cl)cc3F)ccc2o1.
What is the InChIKey of 4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is RCCQILDNYCFKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c1-8-18-13-7-10(3-5-14(13)21-8)19-15(20)11-4-2-9(16)6-12(11)17/h2-7H,1H3,(H,19,20).
What are the key properties of 4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide?
4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 304.71 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 25474421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).