3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide

C13H15IN2O3 — CID 113352781

IUPAC3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
SMILESO=C(NCC(=O)N1CCOCC1)c1cccc(I)c1
InChIInChI=1S/C13H15IN2O3/c14-11-3-1-2-10(8-11)13(18)15-9-12(17)16-4-6-19-7-5-16/h1-3,8H,4-7,9H2,(H,15,18)
InChIKeyMIPFTLJJPGPVMY-UHFFFAOYSA-N
MW374.18 g/mol
LogP0.88
Rot. Bonds3

About 3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide

3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide (PubChem CID 113352781) has the molecular formula C13H15IN2O3 and a molecular weight of 374.18 g/mol. Its IUPAC name is 3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
PubChem CID113352781
Molecular FormulaC13H15IN2O3
Molecular Weight374.18 g/mol
Exact Mass374.01
IUPAC Name3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
SMILESO=C(NCC(=O)N1CCOCC1)c1cccc(I)c1
InChIInChI=1S/C13H15IN2O3/c14-11-3-1-2-10(8-11)13(18)15-9-12(17)16-4-6-19-7-5-16/h1-3,8H,4-7,9H2,(H,15,18)
InChIKeyMIPFTLJJPGPVMY-UHFFFAOYSA-N
XLogP0.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2-morpholin-4-yl-2-oxoethyl) 3-iodobenzoate
CID 2418496
3-iodo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 95130808
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59282800
(2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate
CID 2548453
N-(furan-2-ylmethyl)-3-[(2-morpholin-4-yl-2-oxoethyl)amino]benzamide
CID 54834688
N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 47102072
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide
CID 146126137
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide
CID 51161836
3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 38491208
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-fluorobenzamide
CID 43057717

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The IUPAC name of 3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide (CID 113352781) is 3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide.
What is the SMILES notation for 3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The canonical SMILES for 3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide is O=C(NCC(=O)N1CCOCC1)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The InChIKey is MIPFTLJJPGPVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IN2O3/c14-11-3-1-2-10(8-11)13(18)15-9-12(17)16-4-6-19-7-5-16/h1-3,8H,4-7,9H2,(H,15,18).
What are the key properties of 3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide has a molecular weight of 374.18 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide is sourced from PubChem (CID 113352781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).