2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride

C16H21ClF2N2O3 — CID 120947138

IUPAC2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)C1CC1c1ccccc1OC(F)F
InChIInChI=1S/C16H20F2N2O3.ClH/c17-16(18)23-14-4-2-1-3-10(14)11-5-12(11)15(22)20-7-9-6-19-8-13(9)21;/h1-4,9,11-13,16,19,21H,5-8H2,(H,20,22);1H
InChIKeyDHYLDGSIEJHGQF-UHFFFAOYSA-N
MW362.80 g/mol
LogP1.51
Rot. Bonds6

About 2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride

2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 120947138) has the molecular formula C16H21ClF2N2O3 and a molecular weight of 362.80 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID120947138
Molecular FormulaC16H21ClF2N2O3
Molecular Weight362.80 g/mol
Exact Mass362.12
IUPAC Name2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)C1CC1c1ccccc1OC(F)F
InChIInChI=1S/C16H20F2N2O3.ClH/c17-16(18)23-14-4-2-1-3-10(14)11-5-12(11)15(22)20-7-9-6-19-8-13(9)21;/h1-4,9,11-13,16,19,21H,5-8H2,(H,20,22);1H
InChIKeyDHYLDGSIEJHGQF-UHFFFAOYSA-N
XLogP1.51
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.80
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

2-(2,5-difluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 120947077
trans-(1R,2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 30254146
[2-[2-(difluoromethoxy)phenyl]cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730891
2-(2-chlorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120944491
2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944904
trans-(1R,2R)-N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 98760900
N-[[2-[2-(difluoromethoxy)phenyl]cyclopropyl]methyl]propan-2-amine
CID 55209398
N-[(1R,2S)-2-[2-(difluoromethoxy)phenyl]cyclopropyl]-2-fluoroprop-2-enamide
CID 166419773
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 120945515
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxypropanamide
CID 120948053
N-[(2R)-2-(ethylamino)propyl]-2-[2-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 120651037
2-(difluoromethoxy)-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114699967

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride (CID 120947138) is 2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride is Cl.O=C(NCC1CNCC1O)C1CC1c1ccccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is DHYLDGSIEJHGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3.ClH/c17-16(18)23-14-4-2-1-3-10(14)11-5-12(11)15(22)20-7-9-6-19-8-13(9)21;/h1-4,9,11-13,16,19,21H,5-8H2,(H,20,22);1H.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride?
2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 362.80 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120947138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).