N-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide

C11H13ClN2O — CID 168654015

IUPACN-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide
SMILESO=CNc1ccc(N2CCCC2)c(Cl)c1
InChIInChI=1S/C11H13ClN2O/c12-10-7-9(13-8-15)3-4-11(10)14-5-1-2-6-14/h3-4,7-8H,1-2,5-6H2,(H,13,15)
InChIKeyGUPMOBUYHMCSBL-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.51
Rot. Bonds3

About N-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide

N-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide (PubChem CID 168654015) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide
PubChem CID168654015
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide
SMILESO=CNc1ccc(N2CCCC2)c(Cl)c1
InChIInChI=1S/C11H13ClN2O/c12-10-7-9(13-8-15)3-4-11(10)14-5-1-2-6-14/h3-4,7-8H,1-2,5-6H2,(H,13,15)
InChIKeyGUPMOBUYHMCSBL-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide
CID 64992307
3-chloro-N-methyl-4-pyrrolidin-1-ylaniline
CID 91677052
2-[(3-chloro-4-piperidin-1-ylanilino)methylidene]propanedinitrile
CID 168544054
(2S)-2-chloro-N-(3-chloro-4-pyrrolidin-1-ylphenyl)propanamide
CID 51670700
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)formamide
CID 167044569
3-(3-chloro-4-pyrrolidin-1-ylphenyl)propanal
CID 117348231
1-(3-chloro-4-pyrrolidin-1-ylphenyl)-3-(2-hydroxyethyl)urea
CID 111426564
1-chloro-3-(3-chloro-4-pyrrolidin-1-ylanilino)propan-2-ol
CID 168637936
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide
CID 1220386
N-(3-chloro-4-piperidin-1-ylphenyl)-2-methoxyacetamide
CID 47296916
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzamide
CID 833887
N-(3-chloro-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 3449576

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide?
The IUPAC name of N-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide (CID 168654015) is N-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide.
What is the SMILES notation for N-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide?
The canonical SMILES for N-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide is O=CNc1ccc(N2CCCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide?
The InChIKey is GUPMOBUYHMCSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-10-7-9(13-8-15)3-4-11(10)14-5-1-2-6-14/h3-4,7-8H,1-2,5-6H2,(H,13,15).
What are the key properties of N-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide?
N-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide has a molecular weight of 224.69 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyrrolidin-1-ylphenyl)formamide is sourced from PubChem (CID 168654015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).