4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride

C12H15Cl2FN2O2 — CID 120945409

IUPAC4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H14ClFN2O2.ClH/c13-8-1-2-9(10(14)3-8)12(18)16-5-7-4-15-6-11(7)17;/h1-3,7,11,15,17H,4-6H2,(H,16,18);1H
InChIKeyLDVAKCASORFGKP-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.21
Rot. Bonds3

About 4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride

4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride (PubChem CID 120945409) has the molecular formula C12H15Cl2FN2O2 and a molecular weight of 309.17 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
PubChem CID120945409
Molecular FormulaC12H15Cl2FN2O2
Molecular Weight309.17 g/mol
Exact Mass308.05
IUPAC Name4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H14ClFN2O2.ClH/c13-8-1-2-9(10(14)3-8)12(18)16-5-7-4-15-6-11(7)17;/h1-3,7,11,15,17H,4-6H2,(H,16,18);1H
InChIKeyLDVAKCASORFGKP-UHFFFAOYSA-N
XLogP1.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-iodobenzamide;hydrochloride
CID 120944879
2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
CID 120944490
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodobenzamide;hydrochloride
CID 120946362
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
CID 120946846
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-fluorobenzamide
CID 114306984
3-bromo-4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120943825
2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120945363
2,4,6-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944182
2,4-dichloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylsulfanylbenzamide;hydrochloride
CID 120948818
4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 120947929
4-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691203
2-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylbenzamide;hydrochloride
CID 120945848

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The IUPAC name of 4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride (CID 120945409) is 4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride is Cl.O=C(NCC1CNCC1O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
The InChIKey is LDVAKCASORFGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2.ClH/c13-8-1-2-9(10(14)3-8)12(18)16-5-7-4-15-6-11(7)17;/h1-3,7,11,15,17H,4-6H2,(H,16,18);1H.
What are the key properties of 4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride?
4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride has a molecular weight of 309.17 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 120945409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).