N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride

C14H19ClFN3O2 — CID 119299555

IUPACN-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC(=O)C1CCCN1)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2.ClH/c15-11-5-3-10(4-6-11)13(19)17-8-9-18-14(20)12-2-1-7-16-12;/h3-6,12,16H,1-2,7-9H2,(H,17,19)(H,18,20);1H
InChIKeySMHDUPMIHMODLO-UHFFFAOYSA-N
MW315.78 g/mol
LogP0.85
Rot. Bonds5

About N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride

N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119299555) has the molecular formula C14H19ClFN3O2 and a molecular weight of 315.78 g/mol. Its IUPAC name is N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119299555
Molecular FormulaC14H19ClFN3O2
Molecular Weight315.78 g/mol
Exact Mass315.11
IUPAC NameN-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC(=O)C1CCCN1)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2.ClH/c15-11-5-3-10(4-6-11)13(19)17-8-9-18-14(20)12-2-1-7-16-12;/h3-6,12,16H,1-2,7-9H2,(H,17,19)(H,18,20);1H
InChIKeySMHDUPMIHMODLO-UHFFFAOYSA-N
XLogP0.85
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-2-carboxamide
CID 119299543
N-[2-[(4-bromobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 119299525
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299562
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 46103850
N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide
CID 110481245
(2S)-N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119284338
(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95724857
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-[3-(3,5-difluorophenyl)propyl]pyrrolidine-2-carboxamide
CID 91660203
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119286603

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119299555) is N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCCNC(=O)C1CCCN1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is SMHDUPMIHMODLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2.ClH/c15-11-5-3-10(4-6-11)13(19)17-8-9-18-14(20)12-2-1-7-16-12;/h3-6,12,16H,1-2,7-9H2,(H,17,19)(H,18,20);1H.
What are the key properties of N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 315.78 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119299555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).