N-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide

C12H13ClN2O3 — CID 110696712

IUPACN-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide
SMILESO=C1COCC(C(=O)NCc2ccc(Cl)cc2)N1
InChIInChI=1S/C12H13ClN2O3/c13-9-3-1-8(2-4-9)5-14-12(17)10-6-18-7-11(16)15-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16)
InChIKeyBAPRAGRCDPUOLA-UHFFFAOYSA-N
MW268.70 g/mol
LogP0.47
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide

N-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide (PubChem CID 110696712) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide
PubChem CID110696712
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC NameN-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide
SMILESO=C1COCC(C(=O)NCc2ccc(Cl)cc2)N1
InChIInChI=1S/C12H13ClN2O3/c13-9-3-1-8(2-4-9)5-14-12(17)10-6-18-7-11(16)15-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16)
InChIKeyBAPRAGRCDPUOLA-UHFFFAOYSA-N
XLogP0.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-5-oxomorpholine-3-carboxamide
CID 110696705
N-[2-(4-fluorophenyl)ethyl]-5-oxomorpholine-3-carboxamide
CID 110696724
5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide
CID 110696717
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide
CID 110696737
N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78981486
(2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61148810
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102687496
N-[(4-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide
CID 110196319
N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793335
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 134799499
2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791872

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide (CID 110696712) is N-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide is O=C1COCC(C(=O)NCc2ccc(Cl)cc2)N1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide?
The InChIKey is BAPRAGRCDPUOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c13-9-3-1-8(2-4-9)5-14-12(17)10-6-18-7-11(16)15-10/h1-4,10H,5-7H2,(H,14,17)(H,15,16).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide has a molecular weight of 268.70 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 110696712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).