N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide

C12H14ClIN2O2 — CID 142417419

IUPACN-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(Cl)c(I)c1
InChIInChI=1S/C12H14ClIN2O2/c13-10-2-1-9(7-11(10)14)15-12(17)8-16-3-5-18-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)
InChIKeyTYCYDDDXRPTHFH-UHFFFAOYSA-N
MW380.61 g/mol
LogP2.22
Rot. Bonds3

About N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide

N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide (PubChem CID 142417419) has the molecular formula C12H14ClIN2O2 and a molecular weight of 380.61 g/mol. Its IUPAC name is N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide
PubChem CID142417419
Molecular FormulaC12H14ClIN2O2
Molecular Weight380.61 g/mol
Exact Mass379.98
IUPAC NameN-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(Cl)c(I)c1
InChIInChI=1S/C12H14ClIN2O2/c13-10-2-1-9(7-11(10)14)15-12(17)8-16-3-5-18-6-4-16/h1-2,7H,3-6,8H2,(H,15,17)
InChIKeyTYCYDDDXRPTHFH-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.61
LogP ≤ 52.22
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

N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-chloro-3-nitrophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 55498242
4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 52673868
N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide
CID 16623903
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride
CID 21438204
2-morpholin-4-yl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 4975216
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324
4-chloro-N-[3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 50875747

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide (CID 142417419) is N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc(Cl)c(I)c1.
What is the InChIKey of N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide?
The InChIKey is TYCYDDDXRPTHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClIN2O2/c13-10-2-1-9(7-11(10)14)15-12(17)8-16-3-5-18-6-4-16/h1-2,7H,3-6,8H2,(H,15,17).
What are the key properties of N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide?
N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide has a molecular weight of 380.61 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 142417419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).