N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide

C12H15FN2O — CID 47032428

IUPACN-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(F)c(NC(=O)N2CCCC2)c1
InChIInChI=1S/C12H15FN2O/c1-9-4-5-10(13)11(8-9)14-12(16)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyMRBPZXRQWMDEHG-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.76
Rot. Bonds1

About N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide

N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 47032428) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID47032428
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC NameN-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(F)c(NC(=O)N2CCCC2)c1
InChIInChI=1S/C12H15FN2O/c1-9-4-5-10(13)11(8-9)14-12(16)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)
InChIKeyMRBPZXRQWMDEHG-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-amino-5-methylphenyl)pyrrolidine-1-carboxamide
CID 112557540
(4aR,8aR)-N-(2-fluoro-5-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944857
N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide
CID 115687770
N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92768345
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide
CID 92768972
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]pyrrolidine-1-carboxamide
CID 82766359
N-(2,3,4-trifluorophenyl)azepane-1-carboxamide
CID 47193814
N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 58899757
4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111598
N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide
CID 107610837
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide (CID 47032428) is N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccc(F)c(NC(=O)N2CCCC2)c1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is MRBPZXRQWMDEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-9-4-5-10(13)11(8-9)14-12(16)15-6-2-3-7-15/h4-5,8H,2-3,6-7H2,1H3,(H,14,16).
What are the key properties of N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide?
N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 222.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47032428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).