N-(4-chlorobenzyl)morpholine-4-carboxamide

C12H15ClN2O2 — CID 743788

IUPACN-[(4-chlorophenyl)methyl]morpholine-4-carboxamide
SMILESC1COCCN1C(=O)NCC2=CC=C(C=C2)Cl
InChIInChI=1S/C12H15ClN2O2/c13-11-3-1-10(2-4-11)9-14-12(16)15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16)
InChIKeyWKDSOAISIKTKNX-UHFFFAOYSA-N
MW254.71 g/mol
LogP1.30
Rot. Bonds2

About N-(4-chlorobenzyl)morpholine-4-carboxamide

N-(4-chlorobenzyl)morpholine-4-carboxamide (PubChem CID 743788) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.71 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorobenzyl)morpholine-4-carboxamide
PubChem CID743788
Molecular FormulaC12H15ClN2O2
Molecular Weight254.71 g/mol
Exact Mass254.08
IUPAC NameN-[(4-chlorophenyl)methyl]morpholine-4-carboxamide
SMILESC1COCCN1C(=O)NCC2=CC=C(C=C2)Cl
InChIInChI=1S/C12H15ClN2O2/c13-11-3-1-10(2-4-11)9-14-12(16)15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16)
InChIKeyWKDSOAISIKTKNX-UHFFFAOYSA-N
XLogP1.30
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity249

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzylmorpholine-4-carboxamide
CID 760018
1-(4-chlorobenzyl)tetrahydropyrimidin-2(1H)-one
CID 5076487
N,N'-Di(p-chlorobenzyl)urea
CID 253257
4-[(4-Chlorophenyl)methyl]morpholine
CID 783204
6-(4-Chlorophenyl)-2-morpholin-4-ylpyridin-4-ol
CID 16203826
N-(4-chlorobenzyl)-2-(2,6-dimethyl-4-morpholinyl)acetamide
CID 6465678
N-(4-chlorobenzyl)urea
CID 1484508
N1-(2,4-dichlorobenzyl)-N4-(2-methoxyethyl)piperidine-1,4-dicarboxamide
CID 24748561
2-[3-(4-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 9550768
[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 76321041
4-benzyl-N-(4-chlorobenzyl)-1-piperazinecarboxamide
CID 851982
N'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 2172999

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobenzyl)morpholine-4-carboxamide?
The IUPAC name of N-(4-chlorobenzyl)morpholine-4-carboxamide (CID 743788) is N-[(4-chlorophenyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-(4-chlorobenzyl)morpholine-4-carboxamide?
The canonical SMILES for N-(4-chlorobenzyl)morpholine-4-carboxamide is C1COCCN1C(=O)NCC2=CC=C(C=C2)Cl.
What is the InChIKey of N-(4-chlorobenzyl)morpholine-4-carboxamide?
The InChIKey is WKDSOAISIKTKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-11-3-1-10(2-4-11)9-14-12(16)15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16).
What are the key properties of N-(4-chlorobenzyl)morpholine-4-carboxamide?
N-(4-chlorobenzyl)morpholine-4-carboxamide has a molecular weight of 254.71 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobenzyl)morpholine-4-carboxamide is sourced from PubChem (CID 743788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).