N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide

C22H26ClN3O3 — CID 35192310

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c1
InChIInChI=1S/C22H26ClN3O3/c1-22(2,3)21(28)24-16-7-4-6-15(14-16)20(27)25-18-9-5-8-17(23)19(18)26-10-12-29-13-11-26/h4-9,14H,10-13H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyJPNPUIJWXDLJFL-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.41
Rot. Bonds4

About N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide

N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide (PubChem CID 35192310) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
PubChem CID35192310
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c1
InChIInChI=1S/C22H26ClN3O3/c1-22(2,3)21(28)24-16-7-4-6-15(14-16)20(27)25-18-9-5-8-17(23)19(18)26-10-12-29-13-11-26/h4-9,14H,10-13H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyJPNPUIJWXDLJFL-UHFFFAOYSA-N
XLogP4.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 30461617
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 4029398
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
3-bromo-N-[(3-chloro-2-morpholin-4-ylphenyl)carbamothioyl]benzamide
CID 3312197
2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
N-(3-chloro-2-morpholin-4-ylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24614256
N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2972706
N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 952438
N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 131960632
N-(3-chloro-2-piperidin-1-ylphenyl)benzamide
CID 952564
2-(3-chloro-2-morpholin-4-ylanilino)-N-(3-methoxyphenyl)acetamide
CID 39998814

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide (CID 35192310) is N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
The InChIKey is JPNPUIJWXDLJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-22(2,3)21(28)24-16-7-4-6-15(14-16)20(27)25-18-9-5-8-17(23)19(18)26-10-12-29-13-11-26/h4-9,14H,10-13H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide has a molecular weight of 415.92 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide is sourced from PubChem (CID 35192310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).