2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide

C14H18FN3O — CID 63110384

IUPAC2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)NC1CCN(C2CC2)C1
InChIInChI=1S/C14H18FN3O/c15-9-1-4-12(13(16)7-9)14(19)17-10-5-6-18(8-10)11-2-3-11/h1,4,7,10-11H,2-3,5-6,8,16H2,(H,17,19)
InChIKeyQMLKVQOTTFJYML-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.37
Rot. Bonds3

About 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide

2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide (PubChem CID 63110384) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
PubChem CID63110384
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide
SMILESNc1cc(F)ccc1C(=O)NC1CCN(C2CC2)C1
InChIInChI=1S/C14H18FN3O/c15-9-1-4-12(13(16)7-9)14(19)17-10-5-6-18(8-10)11-2-3-11/h1,4,7,10-11H,2-3,5-6,8,16H2,(H,17,19)
InChIKeyQMLKVQOTTFJYML-UHFFFAOYSA-N
XLogP1.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1-cyclopropylpiperidin-4-yl)-4-fluorobenzamide
CID 62073326
N-[(3S)-1-cycloheptylpyrrolidin-3-yl]-2,5-difluorobenzamide
CID 52860014
2-amino-N-cycloheptyl-4-fluorobenzamide
CID 55139018
2-amino-4-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 79720090
N-(1-cyclopropylpyrrolidin-3-yl)-2,3-difluorobenzamide
CID 62661461
3-amino-2-chloro-N-(1-cyclopropylpyrrolidin-3-yl)benzamide
CID 112575801
N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
CID 47938545
6-fluoro-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167940374
2-amino-4-fluoro-N-(3-hydroxycyclohexyl)benzamide
CID 63110638
2-amino-N-(4-ethylcyclohexyl)-4-fluorobenzamide
CID 63110662
4-chloro-N-(1-cyclopropylpiperidin-4-yl)-2-fluorobenzamide
CID 46548528
ethyl 4-[(3R)-3-[(4-fluoro-2-methylbenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873657

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide?
The IUPAC name of 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide (CID 63110384) is 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide is Nc1cc(F)ccc1C(=O)NC1CCN(C2CC2)C1.
What is the InChIKey of 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide?
The InChIKey is QMLKVQOTTFJYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-9-1-4-12(13(16)7-9)14(19)17-10-5-6-18(8-10)11-2-3-11/h1,4,7,10-11H,2-3,5-6,8,16H2,(H,17,19).
What are the key properties of 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide?
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide has a molecular weight of 263.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-fluorobenzamide is sourced from PubChem (CID 63110384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).