N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide

C17H17Cl2N3O2 — CID 50881482

IUPACN-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide
SMILESNc1cc(Cl)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCOCC1
InChIInChI=1S/C17H17Cl2N3O2/c18-12-3-1-11(2-4-12)17(23)21-15-10-16(14(20)9-13(15)19)22-5-7-24-8-6-22/h1-4,9-10H,5-8,20H2,(H,21,23)
InChIKeyIJCOSWGVGXQVGT-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.66
Rot. Bonds3

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

N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide (PubChem CID 50881482) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide
PubChem CID50881482
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC NameN-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide
SMILESNc1cc(Cl)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCOCC1
InChIInChI=1S/C17H17Cl2N3O2/c18-12-3-1-11(2-4-12)17(23)21-15-10-16(14(20)9-13(15)19)22-5-7-24-8-6-22/h1-4,9-10H,5-8,20H2,(H,21,23)
InChIKeyIJCOSWGVGXQVGT-UHFFFAOYSA-N
XLogP3.66
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.66
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-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide
CID 50881563
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide
CID 50881412
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220839
N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-4-tert-butylbenzamide
CID 50881655
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-chlorobenzamide
CID 91676215
N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 50881129
N-(2,5-dichlorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045546
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide
CID 26207980
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide?
The IUPAC name of N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide (CID 50881482) is N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide.
What is the SMILES notation for N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide?
The canonical SMILES for N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide is Nc1cc(Cl)c(NC(=O)c2ccc(Cl)cc2)cc1N1CCOCC1.
What is the InChIKey of N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide?
The InChIKey is IJCOSWGVGXQVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c18-12-3-1-11(2-4-12)17(23)21-15-10-16(14(20)9-13(15)19)22-5-7-24-8-6-22/h1-4,9-10H,5-8,20H2,(H,21,23).
What are the key properties of N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide?
N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide has a molecular weight of 366.25 g/mol, XLogP of 3.66, 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-chloro-5-morpholin-4-ylphenyl)-4-chlorobenzamide is sourced from PubChem (CID 50881482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).