[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone

C16H20Cl2N2O2 — CID 155800618

IUPAC[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)N1CCCC1
InChIInChI=1S/C16H20Cl2N2O2/c17-13-4-3-12(9-14(13)18)10-19-7-8-22-15(11-19)16(21)20-5-1-2-6-20/h3-4,9,15H,1-2,5-8,10-11H2
InChIKeyQQTVLATWBTZHRN-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.82
Rot. Bonds3

About [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone

[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 155800618) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID155800618
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)N1CCCC1
InChIInChI=1S/C16H20Cl2N2O2/c17-13-4-3-12(9-14(13)18)10-19-7-8-22-15(11-19)16(21)20-5-1-2-6-20/h3-4,9,15H,1-2,5-8,10-11H2
InChIKeyQQTVLATWBTZHRN-UHFFFAOYSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800439
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800017
1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one
CID 155974237
[4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800553
[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981397
[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165432911
[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone
CID 110246430
[4-[(4-bromophenyl)methyl]morpholin-2-yl]-thiomorpholin-4-ylmethanone
CID 146078396
[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023605
[4-[(5-methyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]-piperidin-1-ylmethanone
CID 146079568
thiomorpholin-4-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanone
CID 146078359

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone (CID 155800618) is [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone is O=C(C1CN(Cc2ccc(Cl)c(Cl)c2)CCO1)N1CCCC1.
What is the InChIKey of [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QQTVLATWBTZHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c17-13-4-3-12(9-14(13)18)10-19-7-8-22-15(11-19)16(21)20-5-1-2-6-20/h3-4,9,15H,1-2,5-8,10-11H2.
What are the key properties of [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 343.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155800618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).