chloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide

C21H22Cl2N4O2 — CID 144982115

IUPACchloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCl.O=C(NCc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1)C1CCCN1
InChIInChI=1S/C20H19ClN4O2.CH3Cl/c21-16-9-7-15(8-10-16)20-25-24-19(27-20)14-5-3-13(4-6-14)12-23-18(26)17-2-1-11-22-17;1-2/h3-10,17,22H,1-2,11-12H2,(H,23,26);1H3
InChIKeyAELDCABPNABSHI-UHFFFAOYSA-N
MW433.34 g/mol
LogP4.28
Rot. Bonds5

About chloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide

chloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 144982115) has the molecular formula C21H22Cl2N4O2 and a molecular weight of 433.34 g/mol. Its IUPAC name is chloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Namechloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID144982115
Molecular FormulaC21H22Cl2N4O2
Molecular Weight433.34 g/mol
Exact Mass432.11
IUPAC Namechloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCCl.O=C(NCc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1)C1CCCN1
InChIInChI=1S/C20H19ClN4O2.CH3Cl/c21-16-9-7-15(8-10-16)20-25-24-19(27-20)14-5-3-13(4-6-14)12-23-18(26)17-2-1-11-22-17;1-2/h3-10,17,22H,1-2,11-12H2,(H,23,26);1H3
InChIKeyAELDCABPNABSHI-UHFFFAOYSA-N
XLogP4.28
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 119342019
N-[(4-tert-butylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82132903
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 176799707
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
(2S)-N-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxamide
CID 15391796
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
N-[(4-methylsulfanylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119302796
N-[[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120841331
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345

Frequently Asked Questions

What is the IUPAC name of chloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of chloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide (CID 144982115) is chloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for chloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for chloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide is CCl.O=C(NCc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1)C1CCCN1.
What is the InChIKey of chloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is AELDCABPNABSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2.CH3Cl/c21-16-9-7-15(8-10-16)20-25-24-19(27-20)14-5-3-13(4-6-14)12-23-18(26)17-2-1-11-22-17;1-2/h3-10,17,22H,1-2,11-12H2,(H,23,26);1H3.
What are the key properties of chloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
chloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 433.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 144982115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).