1-(4-bromophenyl)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]urea

C19H22BrClN4O — CID 22430317

IUPAC1-(4-bromophenyl)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]urea
SMILESO=C(NCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C19H22BrClN4O/c20-15-4-6-17(7-5-15)23-19(26)22-8-9-24-10-12-25(13-11-24)18-3-1-2-16(21)14-18/h1-7,14H,8-13H2,(H2,22,23,26)
InChIKeyGEMKHRNAKURARR-UHFFFAOYSA-N
MW437.77 g/mol
LogP4.05
Rot. Bonds5

About 1-(4-bromophenyl)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]urea

1-(4-bromophenyl)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]urea (PubChem CID 22430317) has the molecular formula C19H22BrClN4O and a molecular weight of 437.77 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]urea
PubChem CID22430317
Molecular FormulaC19H22BrClN4O
Molecular Weight437.77 g/mol
Exact Mass436.07
IUPAC Name1-(4-bromophenyl)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]urea
SMILESO=C(NCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C19H22BrClN4O/c20-15-4-6-17(7-5-15)23-19(26)22-8-9-24-10-12-25(13-11-24)18-3-1-2-16(21)14-18/h1-7,14H,8-13H2,(H2,22,23,26)
InChIKeyGEMKHRNAKURARR-UHFFFAOYSA-N
XLogP4.05
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.77
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-N-cyclohexylpiperazine-1-carboxamide
CID 4416918
1-(4-Bromophenyl)-3-(3-chlorophenyl)urea
CID 302770
N-(3-Chlorophenyl)-4-phenyl-1-piperazinecarboxamide
CID 858193
6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 156905882
1-(4-Bromophenyl)-3-(2-piperidin-1-ylethyl)urea
CID 6468110
1-(4-Chlorophenyl)-3-(2-(4-phenylpiperazin-1-yl)ethyl)urea
CID 22430376
1-(4-Bromophenyl)-3-(4-chlorophenyl)urea
CID 730699
N-{2-[4-(2-chlorophenyl)-1-piperazinyl]ethyl}-N'-phenylurea
CID 1257314
1-(4-Bromo-2-fluorophenyl)-3-(3-chlorophenyl)urea
CID 2116164
N-(3-chlorophenyl)-N'-[2-(4-phenyl-1-piperazinyl)ethyl]urea
CID 2212248
N-(4-chlorophenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 6462460
N-(3-bromophenyl)-N'-[2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 15989532

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]urea (CID 22430317) is 1-(4-bromophenyl)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]urea is O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]urea?
The InChIKey is GEMKHRNAKURARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrClN4O/c20-15-4-6-17(7-5-15)23-19(26)22-8-9-24-10-12-25(13-11-24)18-3-1-2-16(21)14-18/h1-7,14H,8-13H2,(H2,22,23,26).
What are the key properties of 1-(4-bromophenyl)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]urea?
1-(4-bromophenyl)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]urea has a molecular weight of 437.77 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]urea is sourced from PubChem (CID 22430317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).