N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide

C21H26ClN3O2 — CID 50881563

IUPACN-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(N3CCOCC3)c(N)cc2Cl)cc1
InChIInChI=1S/C21H26ClN3O2/c1-21(2,3)15-6-4-14(5-7-15)20(26)24-18-13-19(17(23)12-16(18)22)25-8-10-27-11-9-25/h4-7,12-13H,8-11,23H2,1-3H3,(H,24,26)
InChIKeyQOVXQBSSLMNJAQ-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.31
Rot. Bonds3

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

N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide (PubChem CID 50881563) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide
PubChem CID50881563
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(N3CCOCC3)c(N)cc2Cl)cc1
InChIInChI=1S/C21H26ClN3O2/c1-21(2,3)15-6-4-14(5-7-15)20(26)24-18-13-19(17(23)12-16(18)22)25-8-10-27-11-9-25/h4-7,12-13H,8-11,23H2,1-3H3,(H,24,26)
InChIKeyQOVXQBSSLMNJAQ-UHFFFAOYSA-N
XLogP4.31
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.31
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-chlorobenzamide
CID 50881482
N-[4-amino-2-chloro-5-(4-methylpiperazin-1-yl)phenyl]-4-tert-butylbenzamide
CID 50881655
N-[4-amino-2-chloro-5-(2-methylpiperidin-1-yl)phenyl]-4-tert-butylbenzamide
CID 50881555
N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-4-bromobenzamide
CID 50881412
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
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
N-(4-amino-2-methyl-5-morpholin-4-ylphenyl)-3-methylbenzamide
CID 91676207
N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide
CID 50881210
3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052846
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide?
The IUPAC name of N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide (CID 50881563) is N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide?
The canonical SMILES for N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2cc(N3CCOCC3)c(N)cc2Cl)cc1.
What is the InChIKey of N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide?
The InChIKey is QOVXQBSSLMNJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-21(2,3)15-6-4-14(5-7-15)20(26)24-18-13-19(17(23)12-16(18)22)25-8-10-27-11-9-25/h4-7,12-13H,8-11,23H2,1-3H3,(H,24,26).
What are the key properties of N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide?
N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-4-tert-butylbenzamide has a molecular weight of 387.91 g/mol, XLogP of 4.31, 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-tert-butylbenzamide is sourced from PubChem (CID 50881563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).