3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide

C22H25BrN2O4 — CID 17205552

IUPAC3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1Br
InChIInChI=1S/C22H25BrN2O4/c1-15(2)14-29-20-7-6-16(13-19(20)23)21(26)24-18-5-3-4-17(12-18)22(27)25-8-10-28-11-9-25/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,24,26)
InChIKeyKXVYFNHGCPFFIX-UHFFFAOYSA-N
MW461.36 g/mol
LogP4.21
Rot. Bonds6

About 3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide

3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide (PubChem CID 17205552) has the molecular formula C22H25BrN2O4 and a molecular weight of 461.36 g/mol. Its IUPAC name is 3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
PubChem CID17205552
Molecular FormulaC22H25BrN2O4
Molecular Weight461.36 g/mol
Exact Mass460.10
IUPAC Name3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1Br
InChIInChI=1S/C22H25BrN2O4/c1-15(2)14-29-20-7-6-16(13-19(20)23)21(26)24-18-5-3-4-17(12-18)22(27)25-8-10-28-11-9-25/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,24,26)
InChIKeyKXVYFNHGCPFFIX-UHFFFAOYSA-N
XLogP4.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194786
3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 26159082
3-bromo-4-butoxy-N-[[3-(morpholine-4-carbonyl)phenyl]carbamothioyl]benzamide
CID 17205877
3-bromo-4-ethoxy-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26158239
3-bromo-4-(2-methylpropoxy)-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17202376
3-methoxy-4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55748732
azepan-1-yl-[3-bromo-4-(2-methylpropoxy)phenyl]methanone
CID 17351613
3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17204631
N-[3-(azepane-1-carbonyl)phenyl]-3-bromo-4-methoxybenzamide
CID 26159299
4-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205497
3-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205535
5-bromo-N-[3-(morpholine-4-carbonyl)phenyl]-2-propan-2-yloxybenzamide
CID 17205565

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide (CID 17205552) is 3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide is CC(C)COc1ccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1Br.
What is the InChIKey of 3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide?
The InChIKey is KXVYFNHGCPFFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O4/c1-15(2)14-29-20-7-6-16(13-19(20)23)21(26)24-18-5-3-4-17(12-18)22(27)25-8-10-28-11-9-25/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,24,26).
What are the key properties of 3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide?
3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide has a molecular weight of 461.36 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 17205552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).