N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

C17H24ClN3O2 — CID 75510503

IUPACN-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)N1CCC(CN2CCOCC2)C1
InChIInChI=1S/C17H24ClN3O2/c1-13-2-3-15(18)10-16(13)19-17(22)21-5-4-14(12-21)11-20-6-8-23-9-7-20/h2-3,10,14H,4-9,11-12H2,1H3,(H,19,22)
InChIKeyYPLPXGIPZDULEZ-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.83
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 75510503) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID75510503
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)N1CCC(CN2CCOCC2)C1
InChIInChI=1S/C17H24ClN3O2/c1-13-2-3-15(18)10-16(13)19-17(22)21-5-4-14(12-21)11-20-6-8-23-9-7-20/h2-3,10,14H,4-9,11-12H2,1H3,(H,19,22)
InChIKeyYPLPXGIPZDULEZ-UHFFFAOYSA-N
XLogP2.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-2-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]benzoate
CID 20907513
N-(5-chloro-2-methylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidine-1-carboxamide
CID 20907614
N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 74245672
(4aR,8aR)-N-(5-chloro-2-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944871
N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798621
(3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124592867
ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate
CID 3754378
1-(5-chloro-2-methylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149169
N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105995
N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146129975
N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide
CID 92731340
(3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 99634463

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (CID 75510503) is N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is Cc1ccc(Cl)cc1NC(=O)N1CCC(CN2CCOCC2)C1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is YPLPXGIPZDULEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-13-2-3-15(18)10-16(13)19-17(22)21-5-4-14(12-21)11-20-6-8-23-9-7-20/h2-3,10,14H,4-9,11-12H2,1H3,(H,19,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75510503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).