N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride

C19H26ClF2N3O3 — CID 119477060

IUPACN-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)C2CCCN2C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C19H25F2N3O3.ClH/c20-19(21)27-16-6-2-1-4-14(16)18(26)24-11-3-5-15(24)17(25)23-13-9-7-12(22)8-10-13;/h1-2,4,6,12-13,15,19H,3,5,7-11,22H2,(H,23,25);1H
InChIKeyLGTUEGVFVLVDBQ-UHFFFAOYSA-N
MW417.88 g/mol
LogP2.70
Rot. Bonds5

About N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119477060) has the molecular formula C19H26ClF2N3O3 and a molecular weight of 417.88 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119477060
Molecular FormulaC19H26ClF2N3O3
Molecular Weight417.88 g/mol
Exact Mass417.16
IUPAC NameN-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)C2CCCN2C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C19H25F2N3O3.ClH/c20-19(21)27-16-6-2-1-4-14(16)18(26)24-11-3-5-15(24)17(25)23-13-9-7-12(22)8-10-13;/h1-2,4,6,12-13,15,19H,3,5,7-11,22H2,(H,23,25);1H
InChIKeyLGTUEGVFVLVDBQ-UHFFFAOYSA-N
XLogP2.70
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.88
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 86997540
N-[(2S)-1-aminopropan-2-yl]-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 120507145
1-[2-(difluoromethoxy)benzoyl]-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 120575970
N-(3-cyclopentylpropyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 78883609
1-[2-(difluoromethoxy)benzoyl]-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119432169
1-[2-(difluoromethoxy)benzoyl]-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 120830326
1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60950947
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
[1-[2-(difluoromethoxy)benzoyl]pyrrolidin-2-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 138995269
(2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 93318065
1-[2-(difluoromethoxy)benzoyl]-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 112830739
N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide
CID 61378639

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119477060) is N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.NC1CCC(NC(=O)C2CCCN2C(=O)c2ccccc2OC(F)F)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is LGTUEGVFVLVDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O3.ClH/c20-19(21)27-16-6-2-1-4-14(16)18(26)24-11-3-5-15(24)17(25)23-13-9-7-12(22)8-10-13;/h1-2,4,6,12-13,15,19H,3,5,7-11,22H2,(H,23,25);1H.
What are the key properties of N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 417.88 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119477060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).