3-chloro-5-fluoro-N-(2-morpholin-3-ylethyl)benzamide;hydrochloride

C13H17Cl2FN2O2 — CID 154921463

IUPAC3-chloro-5-fluoro-N-(2-morpholin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1COCCN1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C13H16ClFN2O2.ClH/c14-10-5-9(6-11(15)7-10)13(18)17-2-1-12-8-19-4-3-16-12;/h5-7,12,16H,1-4,8H2,(H,17,18);1H
InChIKeyHYPRQPCHSFPHOS-UHFFFAOYSA-N
MW323.20 g/mol
LogP2.01
Rot. Bonds4

About 3-chloro-5-fluoro-N-(2-morpholin-3-ylethyl)benzamide;hydrochloride

3-chloro-5-fluoro-N-(2-morpholin-3-ylethyl)benzamide;hydrochloride (PubChem CID 154921463) has the molecular formula C13H17Cl2FN2O2 and a molecular weight of 323.20 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-(2-morpholin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-(2-morpholin-3-ylethyl)benzamide;hydrochloride
PubChem CID154921463
Molecular FormulaC13H17Cl2FN2O2
Molecular Weight323.20 g/mol
Exact Mass322.07
IUPAC Name3-chloro-5-fluoro-N-(2-morpholin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1COCCN1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C13H16ClFN2O2.ClH/c14-10-5-9(6-11(15)7-10)13(18)17-2-1-12-8-19-4-3-16-12;/h5-7,12,16H,1-4,8H2,(H,17,18);1H
InChIKeyHYPRQPCHSFPHOS-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-fluoro-N-(morpholin-3-ylmethyl)benzamide
CID 103548275
3-chloro-5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971787
5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971959
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
4-fluoro-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548729
1-(4-fluorophenyl)-4-methyl-N-(2-morpholin-3-ylethyl)-2-oxopyridine-3-carboxamide
CID 172672595
3-chloro-N-ethyl-5-fluorobenzamide
CID 125115811
2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid
CID 175668363
cesium;carbanide;1-(3-chloro-5-fluorophenyl)-2-pyrrolidin-2-ylethanone
CID 176947510
2-fluoro-6-hydroxy-N-(morpholin-3-ylmethyl)benzamide
CID 107016112
2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548347
4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide
CID 103548342

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-(2-morpholin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-chloro-5-fluoro-N-(2-morpholin-3-ylethyl)benzamide;hydrochloride (CID 154921463) is 3-chloro-5-fluoro-N-(2-morpholin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-chloro-5-fluoro-N-(2-morpholin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-chloro-5-fluoro-N-(2-morpholin-3-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCC1COCCN1)c1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-fluoro-N-(2-morpholin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is HYPRQPCHSFPHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O2.ClH/c14-10-5-9(6-11(15)7-10)13(18)17-2-1-12-8-19-4-3-16-12;/h5-7,12,16H,1-4,8H2,(H,17,18);1H.
What are the key properties of 3-chloro-5-fluoro-N-(2-morpholin-3-ylethyl)benzamide;hydrochloride?
3-chloro-5-fluoro-N-(2-morpholin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 323.20 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-(2-morpholin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 154921463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).