5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide

C18H16BrClN2O3 — CID 17172946

IUPAC5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C18H16BrClN2O3/c19-13-3-6-16(20)15(11-13)17(23)21-14-4-1-12(2-5-14)18(24)22-7-9-25-10-8-22/h1-6,11H,7-10H2,(H,21,23)
InChIKeyIIIFVYBOSQRVFU-UHFFFAOYSA-N
MW423.69 g/mol
LogP3.83
Rot. Bonds3

About 5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide

5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 17172946) has the molecular formula C18H16BrClN2O3 and a molecular weight of 423.69 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID17172946
Molecular FormulaC18H16BrClN2O3
Molecular Weight423.69 g/mol
Exact Mass422.00
IUPAC Name5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C18H16BrClN2O3/c19-13-3-6-16(20)15(11-13)17(23)21-14-4-1-12(2-5-14)18(24)22-7-9-25-10-8-22/h1-6,11H,7-10H2,(H,21,23)
InChIKeyIIIFVYBOSQRVFU-UHFFFAOYSA-N
XLogP3.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.69
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-5-bromo-2-chlorobenzamide
CID 17319284
5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34442516
N-[[4-(4-benzoylpiperazin-1-yl)phenyl]carbamothioyl]-5-bromo-2-chlorobenzamide
CID 17317363
4-bromo-2-chloro-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 52673868
2-chloro-N-ethyl-4-[[4-(morpholine-4-carbonyl)benzoyl]amino]benzamide
CID 131911219
N-(2,5-dichlorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045546
5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide
CID 17205565
ethyl 5-[(5-bromo-2-chlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4907817
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 78892234
N-[4-(morpholine-4-carbonyl)phenyl]-2,3-di(propan-2-yl)benzamide
CID 175025885
N-[4-(morpholine-4-carbonyl)phenyl]-1-benzothiophene-3-carboxamide
CID 2971227

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide (CID 17172946) is 5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is IIIFVYBOSQRVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClN2O3/c19-13-3-6-16(20)15(11-13)17(23)21-14-4-1-12(2-5-14)18(24)22-7-9-25-10-8-22/h1-6,11H,7-10H2,(H,21,23).
What are the key properties of 5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide?
5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 423.69 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17172946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).