3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea

C19H24ClN3O2 — CID 667086

IUPAC3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea
SMILESCC(C)OCCCN(Cc1ccccn1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H24ClN3O2/c1-15(2)25-12-6-11-23(14-18-8-3-4-10-21-18)19(24)22-17-9-5-7-16(20)13-17/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3,(H,22,24)
InChIKeyUSJROCKSSLPBHU-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.58
Rot. Bonds8

About 3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea

3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea (PubChem CID 667086) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea
PubChem CID667086
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea
SMILESCC(C)OCCCN(Cc1ccccn1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H24ClN3O2/c1-15(2)25-12-6-11-23(14-18-8-3-4-10-21-18)19(24)22-17-9-5-7-16(20)13-17/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3,(H,22,24)
InChIKeyUSJROCKSSLPBHU-UHFFFAOYSA-N
XLogP4.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-chlorophenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084605
2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3417946
3-(3-methylsulfanylphenyl)-1,1-bis(pyridin-2-ylmethyl)urea
CID 23820633
3-(3-chlorophenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)urea
CID 42702097
3-[2,6-di(propan-2-yl)phenyl]-1,1-bis(pyridin-2-ylmethyl)urea
CID 23737954
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 113120324
3-(3,5-dimethylphenyl)-1-(2-phenylethyl)-1-(pyridin-2-ylmethyl)urea
CID 121084600
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-methylphenyl)-1-(pyridin-2-ylmethyl)urea
CID 42709458
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 110929481
N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120288
N-(3-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191093
3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 61346260

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea (CID 667086) is 3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea is CC(C)OCCCN(Cc1ccccn1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea?
The InChIKey is USJROCKSSLPBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-15(2)25-12-6-11-23(14-18-8-3-4-10-21-18)19(24)22-17-9-5-7-16(20)13-17/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3,(H,22,24).
What are the key properties of 3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea?
3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea has a molecular weight of 361.87 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(3-propan-2-yloxypropyl)-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 667086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).