N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C14H18ClFN2O — CID 106979908

IUPACN-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2ccc(Cl)c(F)c2)CCNC1
InChIInChI=1S/C14H18ClFN2O/c1-9(2)14(5-6-17-8-14)13(19)18-10-3-4-11(15)12(16)7-10/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyCKYYEJISWLJNNN-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.05
Rot. Bonds3

About N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106979908) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106979908
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC NameN-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2ccc(Cl)c(F)c2)CCNC1
InChIInChI=1S/C14H18ClFN2O/c1-9(2)14(5-6-17-8-14)13(19)18-10-3-4-11(15)12(16)7-10/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyCKYYEJISWLJNNN-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 107795101
N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
N-(2-chloro-5-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107528499
N-(3,5-difluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979573
N-(4-chloro-3-fluorophenyl)-3-methylpiperidine-3-carboxamide
CID 63130654
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
N-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979999
N-(2-chloro-6-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981315
N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708344
3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106980261
N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979641
N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980846

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106979908) is N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)Nc2ccc(Cl)c(F)c2)CCNC1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is CKYYEJISWLJNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-9(2)14(5-6-17-8-14)13(19)18-10-3-4-11(15)12(16)7-10/h3-4,7,9,17H,5-6,8H2,1-2H3,(H,18,19).
What are the key properties of N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 284.76 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106979908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).