N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide

C19H21BrClN3O2 — CID 26439639

IUPACN-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C19H21BrClN3O2/c1-13-10-14(20)2-4-16(13)23-19(25)12-22-17-11-15(21)3-5-18(17)24-6-8-26-9-7-24/h2-5,10-11,22H,6-9,12H2,1H3,(H,23,25)
InChIKeyWSKKDXCVWHQSDW-UHFFFAOYSA-N
MW438.75 g/mol
LogP4.30
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide

N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide (PubChem CID 26439639) has the molecular formula C19H21BrClN3O2 and a molecular weight of 438.75 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide
PubChem CID26439639
Molecular FormulaC19H21BrClN3O2
Molecular Weight438.75 g/mol
Exact Mass437.05
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide
SMILESCc1cc(Br)ccc1NC(=O)CNc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C19H21BrClN3O2/c1-13-10-14(20)2-4-16(13)23-19(25)12-22-17-11-15(21)3-5-18(17)24-6-8-26-9-7-24/h2-5,10-11,22H,6-9,12H2,1H3,(H,23,25)
InChIKeyWSKKDXCVWHQSDW-UHFFFAOYSA-N
XLogP4.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.75
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109008560
2-(5-chloro-2-morpholin-4-ylanilino)-N-(3,4-difluorophenyl)acetamide
CID 7922878
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
CID 119833776
N-(3-acetylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide
CID 9104932
2-(5-chloro-2-morpholin-4-ylanilino)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55365315
2-(5-chloro-2-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 99144350
2-(4-chloro-2-methylphenoxy)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 3467178
3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide
CID 55770674
2-(4-bromo-2-methylphenyl)sulfanyl-N-[5-[(4-chlorophenyl)sulfamoyl]-2-morpholin-4-ylphenyl]acetamide
CID 3483793
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
2-(5-chloro-2-morpholin-4-ylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 51199571
2-[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 24981722

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide (CID 26439639) is N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide is Cc1cc(Br)ccc1NC(=O)CNc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide?
The InChIKey is WSKKDXCVWHQSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClN3O2/c1-13-10-14(20)2-4-16(13)23-19(25)12-22-17-11-15(21)3-5-18(17)24-6-8-26-9-7-24/h2-5,10-11,22H,6-9,12H2,1H3,(H,23,25).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide?
N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide has a molecular weight of 438.75 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide is sourced from PubChem (CID 26439639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).