1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea

C15H21ClN6O2 — CID 124734048

IUPAC1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea
SMILESCCOc1ccc(Cl)cc1CCNC(=O)N[C@H](C)c1nnnn1C
InChIInChI=1S/C15H21ClN6O2/c1-4-24-13-6-5-12(16)9-11(13)7-8-17-15(23)18-10(2)14-19-20-21-22(14)3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,17,18,23)/t10-/m1/s1
InChIKeyLVPUHYBDQGPOOM-SNVBAGLBSA-N
MW352.83 g/mol
LogP1.87
Rot. Bonds7

About 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea

1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea (PubChem CID 124734048) has the molecular formula C15H21ClN6O2 and a molecular weight of 352.83 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea
PubChem CID124734048
Molecular FormulaC15H21ClN6O2
Molecular Weight352.83 g/mol
Exact Mass352.14
IUPAC Name1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea
SMILESCCOc1ccc(Cl)cc1CCNC(=O)N[C@H](C)c1nnnn1C
InChIInChI=1S/C15H21ClN6O2/c1-4-24-13-6-5-12(16)9-11(13)7-8-17-15(23)18-10(2)14-19-20-21-22(14)3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,17,18,23)/t10-/m1/s1
InChIKeyLVPUHYBDQGPOOM-SNVBAGLBSA-N
XLogP1.87
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea 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

2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
CID 82550128
5-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]furan-3-carboxylic acid
CID 120551499
N-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 75390139
6-ethoxy-N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-1H-indole-2-carboxamide
CID 124841551
3-(5-chloro-2-ethoxyphenyl)propanoyl chloride
CID 82041837
1-[2-(5-chloro-2-ethoxyphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123285
1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
CID 41105338
1-[4-(5-chloro-2-ethoxyphenyl)butyl]piperazine
CID 83933258
1-(2-aminoethyl)-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyltriazole-4-carboxamide
CID 70755136
4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933257
1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine
CID 109467901
1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 109467900

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea?
The IUPAC name of 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea (CID 124734048) is 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea?
The canonical SMILES for 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea is CCOc1ccc(Cl)cc1CCNC(=O)N[C@H](C)c1nnnn1C.
What is the InChIKey of 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea?
The InChIKey is LVPUHYBDQGPOOM-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21ClN6O2/c1-4-24-13-6-5-12(16)9-11(13)7-8-17-15(23)18-10(2)14-19-20-21-22(14)3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,17,18,23)/t10-/m1/s1.
What are the key properties of 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea?
1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea has a molecular weight of 352.83 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-ethoxyphenyl)ethyl]-3-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]urea is sourced from PubChem (CID 124734048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).