N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide

C15H17IN2O3 — CID 83102563

IUPACN-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1C(=O)c1ccc(I)cc1
InChIInChI=1S/C15H17IN2O3/c16-11-3-1-10(2-4-11)15(20)18-7-8-21-9-13(18)14(19)17-12-5-6-12/h1-4,12-13H,5-9H2,(H,17,19)
InChIKeyARSCQPUIPBNGOV-UHFFFAOYSA-N
MW400.22 g/mol
LogP1.41
Rot. Bonds3

About N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide

N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide (PubChem CID 83102563) has the molecular formula C15H17IN2O3 and a molecular weight of 400.22 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide
PubChem CID83102563
Molecular FormulaC15H17IN2O3
Molecular Weight400.22 g/mol
Exact Mass400.03
IUPAC NameN-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1C(=O)c1ccc(I)cc1
InChIInChI=1S/C15H17IN2O3/c16-11-3-1-10(2-4-11)15(20)18-7-8-21-9-13(18)14(19)17-12-5-6-12/h1-4,12-13H,5-9H2,(H,17,19)
InChIKeyARSCQPUIPBNGOV-UHFFFAOYSA-N
XLogP1.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.22
LogP ≤ 51.41
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-cyclopropyl-4-(6-fluoropyridine-3-carbonyl)morpholine-3-carboxamide
CID 83098403
4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83099541
4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
CID 120521870
4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83102689
4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 107519258
N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide
CID 107034036
3-N-cyclopropyl-4-N-methylmorpholine-3,4-dicarboxamide
CID 116657472
4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098612
4-(4-amino-1-methylpyrrole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83099533
N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide
CID 83105257
N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
CID 83104501
4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83097063

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide (CID 83102563) is N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide is O=C(NC1CC1)C1COCCN1C(=O)c1ccc(I)cc1.
What is the InChIKey of N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide?
The InChIKey is ARSCQPUIPBNGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2O3/c16-11-3-1-10(2-4-11)15(20)18-7-8-21-9-13(18)14(19)17-12-5-6-12/h1-4,12-13H,5-9H2,(H,17,19).
What are the key properties of N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide?
N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide has a molecular weight of 400.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide is sourced from PubChem (CID 83102563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).