1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea

C14H14ClN3O — CID 41083408

IUPAC1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
SMILESC[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C14H14ClN3O/c1-10(13-7-2-3-8-16-13)17-14(19)18-12-6-4-5-11(15)9-12/h2-10H,1H3,(H2,17,18,19)/t10-/m1/s1
InChIKeyMXPLYRQVKFHXDV-SNVBAGLBSA-N
MW275.74 g/mol
LogP3.62
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea

1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea (PubChem CID 41083408) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
PubChem CID41083408
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
SMILESC[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C14H14ClN3O/c1-10(13-7-2-3-8-16-13)17-14(19)18-12-6-4-5-11(15)9-12/h2-10H,1H3,(H2,17,18,19)/t10-/m1/s1
InChIKeyMXPLYRQVKFHXDV-SNVBAGLBSA-N
XLogP3.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylsulfanylphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182597
N-(3-chlorophenyl)-2-(1-pyridin-2-ylethylamino)acetamide
CID 43396868
1-(4-propan-2-ylphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182556
1-(3-chloro-4-cyanophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 94775392
1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182579
1-(3-chlorophenyl)-3-[1-(1-methylimidazol-2-yl)ethyl]urea
CID 110473515
1-(3-chlorophenyl)-3-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 174222164
3-[[(1S)-1-(3-chlorophenyl)ethyl]carbamoylamino]-N-pyridin-2-ylbenzamide
CID 95144985
3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 41042353
N-[3-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 43193722
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
1-(3-chlorophenyl)-3-[1-(5-chlorothiophen-2-yl)ethyl]urea
CID 17181664

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea (CID 41083408) is 1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea is C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccccn1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea?
The InChIKey is MXPLYRQVKFHXDV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-10(13-7-2-3-8-16-13)17-14(19)18-12-6-4-5-11(15)9-12/h2-10H,1H3,(H2,17,18,19)/t10-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea?
1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea has a molecular weight of 275.74 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 41083408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).