N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide

C12H14F2N2O2 — CID 47162409

IUPACN-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)N1CCCC1
InChIInChI=1S/C12H14F2N2O2/c13-11(14)18-10-5-3-9(4-6-10)15-12(17)16-7-1-2-8-16/h3-6,11H,1-2,7-8H2,(H,15,17)
InChIKeyNVBFQEMVLMBQGZ-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.92
Rot. Bonds3

About N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide

N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide (PubChem CID 47162409) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide
PubChem CID47162409
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC NameN-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)N1CCCC1
InChIInChI=1S/C12H14F2N2O2/c13-11(14)18-10-5-3-9(4-6-10)15-12(17)16-7-1-2-8-16/h3-6,11H,1-2,7-8H2,(H,15,17)
InChIKeyNVBFQEMVLMBQGZ-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(piperidine-1-carbonylamino)phenyl] hypofluorite
CID 71166566
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
2-[4-(difluoromethoxy)anilino]-1-piperidin-1-ylethanone
CID 43217862
4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide
CID 86987372
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817620
2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid
CID 63772208
4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide
CID 3928894
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761
1-[[4-(difluoromethoxy)phenyl]carbamothioyl]piperidine-4-carboxamide
CID 7943164
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide (CID 47162409) is N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)N1CCCC1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is NVBFQEMVLMBQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-11(14)18-10-5-3-9(4-6-10)15-12(17)16-7-1-2-8-16/h3-6,11H,1-2,7-8H2,(H,15,17).
What are the key properties of N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide?
N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 256.25 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 47162409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).