N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide

C18H20ClN3O2 — CID 91676215

IUPACN-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide
SMILESCc1cc(N)c(N2CCOCC2)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-12-9-15(20)17(22-5-7-24-8-6-22)11-16(12)21-18(23)13-3-2-4-14(19)10-13/h2-4,9-11H,5-8,20H2,1H3,(H,21,23)
InChIKeyKRNYXOSEQJQWHF-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.32
Rot. Bonds3

About N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide

N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide (PubChem CID 91676215) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide
PubChem CID91676215
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide
SMILESCc1cc(N)c(N2CCOCC2)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-12-9-15(20)17(22-5-7-24-8-6-22)11-16(12)21-18(23)13-3-2-4-14(19)10-13/h2-4,9-11H,5-8,20H2,1H3,(H,21,23)
InChIKeyKRNYXOSEQJQWHF-UHFFFAOYSA-N
XLogP3.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide
CID 91676207
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755
N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide
CID 103144412
N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 50881482
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-2-methoxybenzamide
CID 91676222
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668
N-(5-chloro-2-morpholin-4-ylphenyl)-3-fluorobenzamide
CID 952445
N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide
CID 50881563
N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide
CID 50881210
3-chloro-N-(5-morpholin-4-yl-2-pyridinyl)benzamide
CID 38139828
N-(2-amino-6-methylphenyl)-3-chlorobenzamide
CID 43152332

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide?
The IUPAC name of N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide (CID 91676215) is N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide.
What is the SMILES notation for N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide?
The canonical SMILES for N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide is Cc1cc(N)c(N2CCOCC2)cc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide?
The InChIKey is KRNYXOSEQJQWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12-9-15(20)17(22-5-7-24-8-6-22)11-16(12)21-18(23)13-3-2-4-14(19)10-13/h2-4,9-11H,5-8,20H2,1H3,(H,21,23).
What are the key properties of N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide?
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide has a molecular weight of 345.83 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide is sourced from PubChem (CID 91676215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).