3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea

C15H16ClN3O — CID 17180082

IUPAC3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea
SMILESCCN(Cc1ccncc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O/c1-2-19(11-12-7-9-17-10-8-12)15(20)18-14-5-3-13(16)4-6-14/h3-10H,2,11H2,1H3,(H,18,20)
InChIKeyMQCHNQBHEHCVCK-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.79
Rot. Bonds4

About 3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea

3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea (PubChem CID 17180082) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea
PubChem CID17180082
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea
SMILESCCN(Cc1ccncc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O/c1-2-19(11-12-7-9-17-10-8-12)15(20)18-14-5-3-13(16)4-6-14/h3-10H,2,11H2,1H3,(H,18,20)
InChIKeyMQCHNQBHEHCVCK-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(pyridin-4-ylmethyl)amino]-N-(4-chlorophenyl)propanamide
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1-(2-aminoethyl)-3-(4-chlorophenyl)-1-ethylurea
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1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
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3-(4-bromophenyl)-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108869272
3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea
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3-(4-chlorophenyl)-1-ethyl-1-prop-2-ynylurea
CID 78969978
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 61449449
1-[(4-chlorophenyl)methyl]-3-(4-heptylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 2726719
ethyl 2-[(4-chlorophenyl)carbamoyl-ethylamino]acetate
CID 54900426
1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea
CID 47079451
3-(4-butoxyphenyl)-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 121085289
2-[[2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]acetyl]amino]acetic acid
CID 61449719

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea (CID 17180082) is 3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea is CCN(Cc1ccncc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea?
The InChIKey is MQCHNQBHEHCVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-2-19(11-12-7-9-17-10-8-12)15(20)18-14-5-3-13(16)4-6-14/h3-10H,2,11H2,1H3,(H,18,20).
What are the key properties of 3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea?
3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea has a molecular weight of 289.77 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 17180082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).