1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea

C18H25BrClN3O2 — CID 52662196

IUPAC1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
SMILESCCC(CC)C(=O)N1CCC(NC(=O)Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C18H25BrClN3O2/c1-3-12(4-2)17(24)23-9-7-14(8-10-23)21-18(25)22-16-6-5-13(19)11-15(16)20/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H2,21,22,25)
InChIKeyWPICWOCXENQZRU-UHFFFAOYSA-N
MW430.77 g/mol
LogP4.65
Rot. Bonds5

About 1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea

1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea (PubChem CID 52662196) has the molecular formula C18H25BrClN3O2 and a molecular weight of 430.77 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
PubChem CID52662196
Molecular FormulaC18H25BrClN3O2
Molecular Weight430.77 g/mol
Exact Mass429.08
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
SMILESCCC(CC)C(=O)N1CCC(NC(=O)Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C18H25BrClN3O2/c1-3-12(4-2)17(24)23-9-7-14(8-10-23)21-18(25)22-16-6-5-13(19)11-15(16)20/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H2,21,22,25)
InChIKeyWPICWOCXENQZRU-UHFFFAOYSA-N
XLogP4.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.77
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-ethylbutanamide
CID 17312049
2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 108554619
1-(2-ethoxy-4-fluorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 55819670
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-piperidin-1-ylphenyl)urea
CID 55816831
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885
3-[2-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoylamino]phenyl]sulfanylpropanamide
CID 56557001
1-benzyl-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 110820100
1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
CID 115617867
5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 87047357
1-[(4-bromophenyl)methyl]-3-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 111978031
2-[(4-bromo-2-chlorophenyl)carbamoylamino]butanoic acid
CID 61195408
N-(3-chloro-2-methylphenyl)-1-(2-ethylbutanoyl)piperidine-4-carboxamide
CID 113007215

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea (CID 52662196) is 1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea is CCC(CC)C(=O)N1CCC(NC(=O)Nc2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea?
The InChIKey is WPICWOCXENQZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrClN3O2/c1-3-12(4-2)17(24)23-9-7-14(8-10-23)21-18(25)22-16-6-5-13(19)11-15(16)20/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea?
1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea has a molecular weight of 430.77 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea is sourced from PubChem (CID 52662196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).