5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide

C11H13ClFNO3 — CID 61145588

IUPAC5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
SMILESO=C(c1cc(Cl)ccc1F)N(CCO)CCO
InChIInChI=1S/C11H13ClFNO3/c12-8-1-2-10(13)9(7-8)11(17)14(3-5-15)4-6-16/h1-2,7,15-16H,3-6H2
InChIKeyBADHIJKWHJJILY-UHFFFAOYSA-N
MW261.68 g/mol
LogP0.91
Rot. Bonds5

About 5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide

5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide (PubChem CID 61145588) has the molecular formula C11H13ClFNO3 and a molecular weight of 261.68 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
PubChem CID61145588
Molecular FormulaC11H13ClFNO3
Molecular Weight261.68 g/mol
Exact Mass261.06
IUPAC Name5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide
SMILESO=C(c1cc(Cl)ccc1F)N(CCO)CCO
InChIInChI=1S/C11H13ClFNO3/c12-8-1-2-10(13)9(7-8)11(17)14(3-5-15)4-6-16/h1-2,7,15-16H,3-6H2
InChIKeyBADHIJKWHJJILY-UHFFFAOYSA-N
XLogP0.91
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122037
N-(2-bromoethyl)-5-chloro-2-fluoro-N-propylbenzamide
CID 80665950
2,4-dichloro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655751
5-chloro-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 61074145
4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 82771632
2,5-difluoro-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 111122067
2-bromo-5-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 113351071
5-acetamido-2-fluoro-N-(2-hydroxyethyl)-N-propylbenzamide
CID 110903029
5-chloro-N-(2,2-difluoroethyl)-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 107486316
N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide
CID 54880306
5-chloro-N-ethyl-2-hydrazinyl-N-(2-hydroxyethyl)benzamide
CID 62236604
5-chloro-2-hydrazinyl-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 113468065

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide (CID 61145588) is 5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide is O=C(c1cc(Cl)ccc1F)N(CCO)CCO.
What is the InChIKey of 5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide?
The InChIKey is BADHIJKWHJJILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO3/c12-8-1-2-10(13)9(7-8)11(17)14(3-5-15)4-6-16/h1-2,7,15-16H,3-6H2.
What are the key properties of 5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide?
5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide has a molecular weight of 261.68 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N,N-bis(2-hydroxyethyl)benzamide is sourced from PubChem (CID 61145588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).