2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-cyclohexylbenzamide

C22H25BrN2O3 — CID 4929352

IUPAC2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-cyclohexylbenzamide
SMILESCN(C(=O)COc1ccc(Br)cc1)c1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C22H25BrN2O3/c1-25(21(26)15-28-18-13-11-16(23)12-14-18)20-10-6-5-9-19(20)22(27)24-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,24,27)
InChIKeyBFAQBHALNQDXRB-UHFFFAOYSA-N
MW445.36 g/mol
LogP4.55
Rot. Bonds6

About 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-cyclohexylbenzamide

2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-cyclohexylbenzamide (PubChem CID 4929352) has the molecular formula C22H25BrN2O3 and a molecular weight of 445.36 g/mol. Its IUPAC name is 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-cyclohexylbenzamide
PubChem CID4929352
Molecular FormulaC22H25BrN2O3
Molecular Weight445.36 g/mol
Exact Mass444.10
IUPAC Name2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-cyclohexylbenzamide
SMILESCN(C(=O)COc1ccc(Br)cc1)c1ccccc1C(=O)NC1CCCCC1
InChIInChI=1S/C22H25BrN2O3/c1-25(21(26)15-28-18-13-11-16(23)12-14-18)20-10-6-5-9-19(20)22(27)24-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,24,27)
InChIKeyBFAQBHALNQDXRB-UHFFFAOYSA-N
XLogP4.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[(4-methoxybenzoyl)-methylamino]benzamide
CID 4779078
N-cyclohexyl-2-[methyl-[(4-propoxybenzoyl)carbamothioyl]amino]benzamide
CID 4938945
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
2-[benzyl-[2-(4-bromophenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133175810
N-cyclohexyl-2-[methyl-[(4-pentoxybenzoyl)carbamothioyl]amino]benzamide
CID 4935816
2-(4-bromophenoxy)-N-methyl-N-phenylacetamide
CID 888242
2-[[2-(4-bromophenoxy)acetyl]-[(2-fluorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 133174873
2-[(4-bromophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133253444
(2S)-2-[(4-bromophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100633054
2-[[2-(4-bromophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132619549
(2R)-2-[[2-(4-bromophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100533637

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-cyclohexylbenzamide?
The IUPAC name of 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-cyclohexylbenzamide (CID 4929352) is 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-cyclohexylbenzamide.
What is the SMILES notation for 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-cyclohexylbenzamide?
The canonical SMILES for 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-cyclohexylbenzamide is CN(C(=O)COc1ccc(Br)cc1)c1ccccc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-cyclohexylbenzamide?
The InChIKey is BFAQBHALNQDXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O3/c1-25(21(26)15-28-18-13-11-16(23)12-14-18)20-10-6-5-9-19(20)22(27)24-17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3,(H,24,27).
What are the key properties of 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-cyclohexylbenzamide?
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-cyclohexylbenzamide has a molecular weight of 445.36 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-cyclohexylbenzamide is sourced from PubChem (CID 4929352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).