N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide

C14H18F2N2O — CID 60541693

IUPACN-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)N1CCCC1
InChIInChI=1S/C14H18F2N2O/c1-10(17-14(19)18-7-2-3-8-18)9-11-12(15)5-4-6-13(11)16/h4-6,10H,2-3,7-9H2,1H3,(H,17,19)
InChIKeyIFHBEBWDQNJCHG-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.70
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide

N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 60541693) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
PubChem CID60541693
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
SMILESCC(Cc1c(F)cccc1F)NC(=O)N1CCCC1
InChIInChI=1S/C14H18F2N2O/c1-10(17-14(19)18-7-2-3-8-18)9-11-12(15)5-4-6-13(11)16/h4-6,10H,2-3,7-9H2,1H3,(H,17,19)
InChIKeyIFHBEBWDQNJCHG-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopropanecarboxamide
CID 61027207
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 55930286
N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113104407
(2S)-N-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94801401
1-(aminomethyl)-N-[1-(2,6-difluorophenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 81486715
2-bromo-N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylpropanamide
CID 114328026
N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide
CID 60932780
1-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 154814615
(2R)-2-amino-N-[1-(2,6-difluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012346
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide (CID 60541693) is N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide is CC(Cc1c(F)cccc1F)NC(=O)N1CCCC1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is IFHBEBWDQNJCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-10(17-14(19)18-7-2-3-8-18)9-11-12(15)5-4-6-13(11)16/h4-6,10H,2-3,7-9H2,1H3,(H,17,19).
What are the key properties of N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide?
N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 60541693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).