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

C16H18ClN3O — CID 47065731

IUPAC3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
SMILESCC(C)N(Cc1cccnc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-12(2)20(11-13-5-4-8-18-10-13)16(21)19-15-7-3-6-14(17)9-15/h3-10,12H,11H2,1-2H3,(H,19,21)
InChIKeyPPYIFUZVLGCPDQ-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.18
Rot. Bonds4

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

3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea (PubChem CID 47065731) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
PubChem CID47065731
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
SMILESCC(C)N(Cc1cccnc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-12(2)20(11-13-5-4-8-18-10-13)16(21)19-15-7-3-6-14(17)9-15/h3-10,12H,11H2,1-2H3,(H,19,21)
InChIKeyPPYIFUZVLGCPDQ-UHFFFAOYSA-N
XLogP4.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(3-chlorophenyl)methyl]-N'-propan-2-yl-N-pyridin-3-yloxamide
CID 99627345
2-[[(3-chlorophenyl)carbamoyl-propan-2-ylamino]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 1200433
1-[(1-benzylpyrrol-2-yl)methyl]-3-(3-chlorophenyl)-1-propan-2-ylurea
CID 42762830
N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 51123762
[3-[[[(2S)-butan-2-yl]-[(3-chlorophenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate
CID 7361466
1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
CID 51295493
3-[3-(1-aminoethyl)phenyl]-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 61340772
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
1-(3-amino-3-sulfanylidenepropyl)-3-(3-chlorophenyl)-1-propan-2-ylurea
CID 54998142
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
1-[(3,4-dichlorophenyl)methyl]-3-[3-(difluoromethyl)phenyl]-1-propan-2-ylurea
CID 56527717

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea (CID 47065731) is 3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea is CC(C)N(Cc1cccnc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea?
The InChIKey is PPYIFUZVLGCPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-12(2)20(11-13-5-4-8-18-10-13)16(21)19-15-7-3-6-14(17)9-15/h3-10,12H,11H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea?
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea has a molecular weight of 303.79 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 47065731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).