4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide

C21H22BrClN2O3 — CID 112838966

IUPAC4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)c3ccc(Br)cc3Cl)CC2)cc1
InChIInChI=1S/C21H22BrClN2O3/c1-2-28-17-6-3-14(4-7-17)21(27)25-11-9-16(10-12-25)24-20(26)18-8-5-15(22)13-19(18)23/h3-8,13,16H,2,9-12H2,1H3,(H,24,26)
InChIKeyKJDABFAKYCZGBE-UHFFFAOYSA-N
MW465.78 g/mol
LogP4.54
Rot. Bonds5

About 4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide

4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide (PubChem CID 112838966) has the molecular formula C21H22BrClN2O3 and a molecular weight of 465.78 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
PubChem CID112838966
Molecular FormulaC21H22BrClN2O3
Molecular Weight465.78 g/mol
Exact Mass464.05
IUPAC Name4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)c3ccc(Br)cc3Cl)CC2)cc1
InChIInChI=1S/C21H22BrClN2O3/c1-2-28-17-6-3-14(4-7-17)21(27)25-11-9-16(10-12-25)24-20(26)18-8-5-15(22)13-19(18)23/h3-8,13,16H,2,9-12H2,1H3,(H,24,26)
InChIKeyKJDABFAKYCZGBE-UHFFFAOYSA-N
XLogP4.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.78
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556775
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550788
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]quinoline-4-carboxamide
CID 112804091
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
2-(2-cyanophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
CID 112804628
4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
CID 108551873
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 112804110
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112804073
3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 17483579
N-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 3861917

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide (CID 112838966) is 4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide is CCOc1ccc(C(=O)N2CCC(NC(=O)c3ccc(Br)cc3Cl)CC2)cc1.
What is the InChIKey of 4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide?
The InChIKey is KJDABFAKYCZGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrClN2O3/c1-2-28-17-6-3-14(4-7-17)21(27)25-11-9-16(10-12-25)24-20(26)18-8-5-15(22)13-19(18)23/h3-8,13,16H,2,9-12H2,1H3,(H,24,26).
What are the key properties of 4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide?
4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide has a molecular weight of 465.78 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 112838966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).