1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea

C14H14ClN3O — CID 47240493

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea
SMILESO=C(NCCc1cccc(Cl)c1)Nc1ccccn1
InChIInChI=1S/C14H14ClN3O/c15-12-5-3-4-11(10-12)7-9-17-14(19)18-13-6-1-2-8-16-13/h1-6,8,10H,7,9H2,(H2,16,17,18,19)
InChIKeyXQAUJBAXVBVBCR-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.10
Rot. Bonds4

About 1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea

1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea (PubChem CID 47240493) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea
PubChem CID47240493
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea
SMILESO=C(NCCc1cccc(Cl)c1)Nc1ccccn1
InChIInChI=1S/C14H14ClN3O/c15-12-5-3-4-11(10-12)7-9-17-14(19)18-13-6-1-2-8-16-13/h1-6,8,10H,7,9H2,(H2,16,17,18,19)
InChIKeyXQAUJBAXVBVBCR-UHFFFAOYSA-N
XLogP3.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea
CID 108894672
1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea
CID 47248692
1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900861
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504
3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141858
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea
CID 108991013
1-(1,3-benzothiazol-2-yl)-3-[2-(3-chlorophenyl)ethyl]urea
CID 41435752
1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 17380995
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-(3-chlorophenyl)ethylurea
CID 127513466

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea (CID 47240493) is 1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea is O=C(NCCc1cccc(Cl)c1)Nc1ccccn1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea?
The InChIKey is XQAUJBAXVBVBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-12-5-3-4-11(10-12)7-9-17-14(19)18-13-6-1-2-8-16-13/h1-6,8,10H,7,9H2,(H2,16,17,18,19).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea?
1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea has a molecular weight of 275.74 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 47240493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).