N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide

C19H20F2N2O2 — CID 87003187

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)N1CCCC1c1ccccc1
InChIInChI=1S/C19H20F2N2O2/c20-18(21)25-17-11-5-4-9-15(17)13-22-19(24)23-12-6-10-16(23)14-7-2-1-3-8-14/h1-5,7-9,11,16,18H,6,10,12-13H2,(H,22,24)
InChIKeyQGCKBIVJVGRTIX-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.33
Rot. Bonds5

About N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide

N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide (PubChem CID 87003187) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide
PubChem CID87003187
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)N1CCCC1c1ccccc1
InChIInChI=1S/C19H20F2N2O2/c20-18(21)25-17-11-5-4-9-15(17)13-22-19(24)23-12-6-10-16(23)14-7-2-1-3-8-14/h1-5,7-9,11,16,18H,6,10,12-13H2,(H,22,24)
InChIKeyQGCKBIVJVGRTIX-UHFFFAOYSA-N
XLogP4.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidine-1-carboxamide
CID 110895568
(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923027
N-[[2-(difluoromethoxy)phenyl]methyl]-3-methylsulfonylazetidine-1-carboxamide
CID 122154861
3-cyclopentyl-N-[[2-(difluoromethoxy)phenyl]methyl]propanamide
CID 86915882
propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate
CID 94044030
1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 43440909
(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61252076
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide
CID 81257132
2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid
CID 62688742
(3S,8aR)-2-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 165426750
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 48955806

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide (CID 87003187) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide is O=C(NCc1ccccc1OC(F)F)N1CCCC1c1ccccc1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide?
The InChIKey is QGCKBIVJVGRTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-18(21)25-17-11-5-4-9-15(17)13-22-19(24)23-12-6-10-16(23)14-7-2-1-3-8-14/h1-5,7-9,11,16,18H,6,10,12-13H2,(H,22,24).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 87003187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).