4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide

C19H19BrClN3O3 — CID 52673868

IUPAC4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C19H19BrClN3O3/c20-13-1-6-16(17(21)11-13)19(26)23-15-4-2-14(3-5-15)22-18(25)12-24-7-9-27-10-8-24/h1-6,11H,7-10,12H2,(H,22,25)(H,23,26)
InChIKeyQBVGMYITYKUGNO-UHFFFAOYSA-N
MW452.74 g/mol
LogP3.63
Rot. Bonds5

About 4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide

4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide (PubChem CID 52673868) has the molecular formula C19H19BrClN3O3 and a molecular weight of 452.74 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
PubChem CID52673868
Molecular FormulaC19H19BrClN3O3
Molecular Weight452.74 g/mol
Exact Mass451.03
IUPAC Name4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C19H19BrClN3O3/c20-13-1-6-16(17(21)11-13)19(26)23-15-4-2-14(3-5-15)22-18(25)12-24-7-9-27-10-8-24/h1-6,11H,7-10,12H2,(H,22,25)(H,23,26)
InChIKeyQBVGMYITYKUGNO-UHFFFAOYSA-N
XLogP3.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.74
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1H-pyrrole-2-carboxamide
CID 30780727
N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide
CID 142417419
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324
5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17172946
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
7-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 30780233
5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
2,4-dichloro-N-[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl]benzamide
CID 108754497
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]furan-2-carboxamide
CID 858393

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The IUPAC name of 4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide (CID 52673868) is 4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide is O=C(CN1CCOCC1)Nc1ccc(NC(=O)c2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
The InChIKey is QBVGMYITYKUGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3O3/c20-13-1-6-16(17(21)11-13)19(26)23-15-4-2-14(3-5-15)22-18(25)12-24-7-9-27-10-8-24/h1-6,11H,7-10,12H2,(H,22,25)(H,23,26).
What are the key properties of 4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide?
4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide has a molecular weight of 452.74 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 52673868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).