N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

C19H25F2N3O — CID 71867583

IUPACN-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(NC(c1cc(F)ccc1F)C1CC1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C19H25F2N3O/c20-14-5-6-17(21)16(11-14)18(13-3-4-13)22-19(25)24-10-7-15(12-24)23-8-1-2-9-23/h5-6,11,13,15,18H,1-4,7-10,12H2,(H,22,25)
InChIKeyBOMMFDGTGCNXHX-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.30
Rot. Bonds4

About N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 71867583) has the molecular formula C19H25F2N3O and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
PubChem CID71867583
Molecular FormulaC19H25F2N3O
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC NameN-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESO=C(NC(c1cc(F)ccc1F)C1CC1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C19H25F2N3O/c20-14-5-6-17(21)16(11-14)18(13-3-4-13)22-19(25)24-10-7-15(12-24)23-8-1-2-9-23/h5-6,11,13,15,18H,1-4,7-10,12H2,(H,22,25)
InChIKeyBOMMFDGTGCNXHX-UHFFFAOYSA-N
XLogP3.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-difluorophenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 75977527
2-(2,4-difluorophenyl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]ethanone
CID 97051443
2-(2,4-difluorophenyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 86284380
N-[1-(2,4-difluorophenyl)ethyl]-3-piperidin-1-ylazetidine-1-carboxamide;formic acid
CID 154909605
1-N-[(S)-cyclopentyl-(2-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 97055835
N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-(oxolan-2-yl)propanamide
CID 71993437
N-[3-(4-fluorophenyl)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 72931917
[4-[4-(4-fluorophenoxy)phenoxy]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24794465
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 146121673
(2R)-3,3-dimethyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 103928011
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,4-difluorophenyl)methanone
CID 45147487
(3-fluorophenyl)-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95333696

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (CID 71867583) is N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is O=C(NC(c1cc(F)ccc1F)C1CC1)N1CCC(N2CCCC2)C1.
What is the InChIKey of N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is BOMMFDGTGCNXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O/c20-14-5-6-17(21)16(11-14)18(13-3-4-13)22-19(25)24-10-7-15(12-24)23-8-1-2-9-23/h5-6,11,13,15,18H,1-4,7-10,12H2,(H,22,25).
What are the key properties of N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(2,5-difluorophenyl)methyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 71867583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).