1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea

C20H18ClN3O2 — CID 72545413

IUPAC1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea
SMILESO=C(NCc1ccccc1)Nc1ncccc1OCc1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O2/c21-17-9-4-8-16(12-17)14-26-18-10-5-11-22-19(18)24-20(25)23-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H2,22,23,24,25)
InChIKeyDAEFTAVMIHGPEO-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.64
Rot. Bonds6

About 1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea

1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea (PubChem CID 72545413) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea
PubChem CID72545413
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea
SMILESO=C(NCc1ccccc1)Nc1ncccc1OCc1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O2/c21-17-9-4-8-16(12-17)14-26-18-10-5-11-22-19(18)24-20(25)23-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H2,22,23,24,25)
InChIKeyDAEFTAVMIHGPEO-UHFFFAOYSA-N
XLogP4.64
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(4-chloro-2-pyridinyl)urea
CID 108871348
3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 69070014
2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid
CID 11602993
1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea
CID 142715637
2-[[2-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
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methyl (2S)-2-amino-2-[2-[(3-chlorophenyl)methoxy]phenyl]acetate
CID 125466806
1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 11501398
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate
CID 53112962
3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84558608
1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea
CID 47240493
1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
CID 108898743

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea?
The IUPAC name of 1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea (CID 72545413) is 1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea.
What is the SMILES notation for 1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea?
The canonical SMILES for 1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea is O=C(NCc1ccccc1)Nc1ncccc1OCc1cccc(Cl)c1.
What is the InChIKey of 1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea?
The InChIKey is DAEFTAVMIHGPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-17-9-4-8-16(12-17)14-26-18-10-5-11-22-19(18)24-20(25)23-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H2,22,23,24,25).
What are the key properties of 1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea?
1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea has a molecular weight of 367.84 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea is sourced from PubChem (CID 72545413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).