2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide

C15H21ClN4O — CID 63170463

IUPAC2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(N3CCOCC3)C2)cc1Cl
InChIInChI=1S/C15H21ClN4O/c16-14-9-11(1-2-13(14)15(17)18)20-4-3-12(10-20)19-5-7-21-8-6-19/h1-2,9,12H,3-8,10H2,(H3,17,18)
InChIKeyLDWBFAXCLLMIDP-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.53
Rot. Bonds3

About 2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide

2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide (PubChem CID 63170463) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide
PubChem CID63170463
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CCC(N3CCOCC3)C2)cc1Cl
InChIInChI=1S/C15H21ClN4O/c16-14-9-11(1-2-13(14)15(17)18)20-4-3-12(10-20)19-5-7-21-8-6-19/h1-2,9,12H,3-8,10H2,(H3,17,18)
InChIKeyLDWBFAXCLLMIDP-UHFFFAOYSA-N
XLogP1.53
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 62947696
2-chloro-4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534098
2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
CID 102958478
2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 55153583
2-amino-5-(3-morpholin-4-ylpyrrolidin-1-yl)benzoic acid
CID 63174659
N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 76986915
6-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboximidamide
CID 63170283
2-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide
CID 81465237
2-chloro-4-(2,5-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62948700
2-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
CID 102933094
2-bromo-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 107279188
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)benzenecarboximidamide
CID 79938375

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide (CID 63170463) is 2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CCC(N3CCOCC3)C2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide?
The InChIKey is LDWBFAXCLLMIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c16-14-9-11(1-2-13(14)15(17)18)20-4-3-12(10-20)19-5-7-21-8-6-19/h1-2,9,12H,3-8,10H2,(H3,17,18).
What are the key properties of 2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide?
2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide has a molecular weight of 308.81 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 63170463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).