2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride

C13H15Cl2F3N2O2 — CID 154901624

IUPAC2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1(O)CCNC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H14ClF3N2O2.ClH/c14-10-2-1-8(13(15,16)17)5-9(10)11(20)19-7-12(21)3-4-18-6-12;/h1-2,5,18,21H,3-4,6-7H2,(H,19,20);1H
InChIKeyXVRPQXJCIVEDLT-UHFFFAOYSA-N
MW359.18 g/mol
LogP2.23
Rot. Bonds3

About 2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride

2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 154901624) has the molecular formula C13H15Cl2F3N2O2 and a molecular weight of 359.18 g/mol. Its IUPAC name is 2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride
PubChem CID154901624
Molecular FormulaC13H15Cl2F3N2O2
Molecular Weight359.18 g/mol
Exact Mass358.05
IUPAC Name2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1(O)CCNC1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C13H14ClF3N2O2.ClH/c14-10-2-1-8(13(15,16)17)5-9(10)11(20)19-7-12(21)3-4-18-6-12;/h1-2,5,18,21H,3-4,6-7H2,(H,19,20);1H
InChIKeyXVRPQXJCIVEDLT-UHFFFAOYSA-N
XLogP2.23
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 77088762
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
CID 114760620
N-[(1-aminocyclopropyl)methyl]-2-chloro-4-(trifluoromethyl)benzamide;hydrochloride
CID 171678638
2-bromo-N-[[1-(chloromethyl)cyclopropyl]methyl]-5-(trifluoromethyl)benzamide
CID 115455978
2,4-dichloro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide
CID 114189535
2-(3-chloro-4-hydroxyphenyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]acetamide
CID 99991938
2-chloro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 154901494
2,3,4,5,6-pentafluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 114760608
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 119059858
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464
1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169589
N-[[1-(bromomethyl)cyclopropyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 115456406

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of 2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride (CID 154901624) is 2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for 2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride is Cl.O=C(NCC1(O)CCNC1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is XVRPQXJCIVEDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O2.ClH/c14-10-2-1-8(13(15,16)17)5-9(10)11(20)19-7-12(21)3-4-18-6-12;/h1-2,5,18,21H,3-4,6-7H2,(H,19,20);1H.
What are the key properties of 2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride?
2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 359.18 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 154901624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).