2-[(4-fluoro-2-methylanilino)carbamoyl]pyrrolidine-1-carboxamide

C13H17FN4O2 — CID 134220723

IUPAC2-[(4-fluoro-2-methylanilino)carbamoyl]pyrrolidine-1-carboxamide
SMILESCc1cc(F)ccc1NNC(=O)C1CCCN1C(N)=O
InChIInChI=1S/C13H17FN4O2/c1-8-7-9(14)4-5-10(8)16-17-12(19)11-3-2-6-18(11)13(15)20/h4-5,7,11,16H,2-3,6H2,1H3,(H2,15,20)(H,17,19)
InChIKeyOKCPPBCTKGZQGF-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.12
Rot. Bonds3

About 2-[(4-fluoro-2-methylanilino)carbamoyl]pyrrolidine-1-carboxamide

2-[(4-fluoro-2-methylanilino)carbamoyl]pyrrolidine-1-carboxamide (PubChem CID 134220723) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylanilino)carbamoyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylanilino)carbamoyl]pyrrolidine-1-carboxamide
PubChem CID134220723
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC Name2-[(4-fluoro-2-methylanilino)carbamoyl]pyrrolidine-1-carboxamide
SMILESCc1cc(F)ccc1NNC(=O)C1CCCN1C(N)=O
InChIInChI=1S/C13H17FN4O2/c1-8-7-9(14)4-5-10(8)16-17-12(19)11-3-2-6-18(11)13(15)20/h4-5,7,11,16H,2-3,6H2,1H3,(H2,15,20)(H,17,19)
InChIKeyOKCPPBCTKGZQGF-UHFFFAOYSA-N
XLogP1.12
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methylanilino)carbamoyl]pyrrolidine-1-carboxamide
CID 134211831
tert-butyl (2S)-1-[(4-fluoro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylate
CID 71914636
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
1-(2-amino-4-fluorobenzoyl)-N-methylpiperidine-2-carboxamide
CID 63110168
1-(4-bromophenyl)sulfonyl-N-(4-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 50762358
methyl 2-[(2-ethoxycarbonylanilino)carbamoyl]pyrrolidine-1-carboxylate
CID 134209965
(2S)-2-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 74250640
[4-amino-3-[[2-[(4-fluoroanilino)carbamoyl]pyrrolidine-1-carbonyl]amino]-4-oxobutan-2-yl] acetate
CID 134209963
1-N-(2-chloro-4-fluorophenyl)-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 78896653
1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-N-methylpyrrolidine-2-carboxamide
CID 111564989
1-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61192061
2-amino-N-(4-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119679603

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylanilino)carbamoyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-[(4-fluoro-2-methylanilino)carbamoyl]pyrrolidine-1-carboxamide (CID 134220723) is 2-[(4-fluoro-2-methylanilino)carbamoyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[(4-fluoro-2-methylanilino)carbamoyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[(4-fluoro-2-methylanilino)carbamoyl]pyrrolidine-1-carboxamide is Cc1cc(F)ccc1NNC(=O)C1CCCN1C(N)=O.
What is the InChIKey of 2-[(4-fluoro-2-methylanilino)carbamoyl]pyrrolidine-1-carboxamide?
The InChIKey is OKCPPBCTKGZQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c1-8-7-9(14)4-5-10(8)16-17-12(19)11-3-2-6-18(11)13(15)20/h4-5,7,11,16H,2-3,6H2,1H3,(H2,15,20)(H,17,19).
What are the key properties of 2-[(4-fluoro-2-methylanilino)carbamoyl]pyrrolidine-1-carboxamide?
2-[(4-fluoro-2-methylanilino)carbamoyl]pyrrolidine-1-carboxamide has a molecular weight of 280.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylanilino)carbamoyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 134220723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).