1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea

C15H19ClN6O — CID 30295905

IUPAC1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NCc1nnnn1C1CCCC1
InChIInChI=1S/C15H19ClN6O/c16-12-7-5-11(6-8-12)9-17-15(23)18-10-14-19-20-21-22(14)13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H2,17,18,23)
InChIKeyDWWMVLTWNNWSRS-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.44
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea

1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea (PubChem CID 30295905) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
PubChem CID30295905
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NCc1nnnn1C1CCCC1
InChIInChI=1S/C15H19ClN6O/c16-12-7-5-11(6-8-12)9-17-15(23)18-10-14-19-20-21-22(14)13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H2,17,18,23)
InChIKeyDWWMVLTWNNWSRS-UHFFFAOYSA-N
XLogP2.44
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295393
1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
CID 30295842
3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295389
1-(4-chlorophenyl)-2-(1-cyclohexyltetrazol-5-yl)ethanone
CID 134907750
5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide
CID 30295444
N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 30295231
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide
CID 30295477
[2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate
CID 30295899
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide
CID 30295335
N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 30295515
N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 30295463
N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide
CID 30295362

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea (CID 30295905) is 1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea is O=C(NCc1ccc(Cl)cc1)NCc1nnnn1C1CCCC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea?
The InChIKey is DWWMVLTWNNWSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O/c16-12-7-5-11(6-8-12)9-17-15(23)18-10-14-19-20-21-22(14)13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H2,17,18,23).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea?
1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea has a molecular weight of 334.81 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea is sourced from PubChem (CID 30295905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).