N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide

C15H19ClN2O2 — CID 113214436

IUPACN-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCOCC1
InChIInChI=1S/C15H19ClN2O2/c16-13-3-1-12(2-4-13)15(5-6-15)11-17-14(19)18-7-9-20-10-8-18/h1-4H,5-11H2,(H,17,19)
InChIKeyMTEZDZDJCRKUME-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.41
Rot. Bonds3

About N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide (PubChem CID 113214436) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide
PubChem CID113214436
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCOCC1
InChIInChI=1S/C15H19ClN2O2/c16-13-3-1-12(2-4-13)15(5-6-15)11-17-14(19)18-7-9-20-10-8-18/h1-4H,5-11H2,(H,17,19)
InChIKeyMTEZDZDJCRKUME-UHFFFAOYSA-N
XLogP2.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(hydroxymethyl)morpholine-4-carboxamide
CID 96517372
(2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 126454885
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]morpholine-4-carboxamide
CID 112503044
1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
CID 119749400
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 122571565
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 113214326
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 155949071
N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113213961
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
CID 119749418
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpiperazine-1-carboxamide
CID 113214294
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 113090708
4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214019

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide (CID 113214436) is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide is O=C(NCC1(c2ccc(Cl)cc2)CC1)N1CCOCC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide?
The InChIKey is MTEZDZDJCRKUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-13-3-1-12(2-4-13)15(5-6-15)11-17-14(19)18-7-9-20-10-8-18/h1-4H,5-11H2,(H,17,19).
What are the key properties of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide?
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 113214436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).