1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea

C20H17ClN2O2 — CID 2811720

IUPAC1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea
SMILESO=C(NCc1c(Cl)cccc1Oc1ccccc1)Nc1ccccc1
InChIInChI=1S/C20H17ClN2O2/c21-18-12-7-13-19(25-16-10-5-2-6-11-16)17(18)14-22-20(24)23-15-8-3-1-4-9-15/h1-13H,14H2,(H2,22,23,24)
InChIKeyOHXGDRBSQPDOHG-UHFFFAOYSA-N
MW352.82 g/mol
LogP5.45
Rot. Bonds5

About 1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea

1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea (PubChem CID 2811720) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea
PubChem CID2811720
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea
SMILESO=C(NCc1c(Cl)cccc1Oc1ccccc1)Nc1ccccc1
InChIInChI=1S/C20H17ClN2O2/c21-18-12-7-13-19(25-16-10-5-2-6-11-16)17(18)14-22-20(24)23-15-8-3-1-4-9-15/h1-13H,14H2,(H2,22,23,24)
InChIKeyOHXGDRBSQPDOHG-UHFFFAOYSA-N
XLogP5.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea 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

1-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methyl]-3-(4-chlorophenyl)urea
CID 2806109
2-[2-[(2-chloro-6-phenoxyphenyl)methylamino]-2-oxoethyl]sulfanylacetate
CID 7189462
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
N-(4-carbamimidoylphenyl)-N'-[(2-chloro-6-phenoxyphenyl)methyl]-2-phenylpropanediamide;formic acid
CID 162107010
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63552374
5-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methylamino]-5-oxopentanoic acid
CID 2812331
1-[3-(2-aminoethyl)phenyl]-3-[(2,6-dichlorophenyl)methyl]urea
CID 66941489
(2,6-dichlorophenyl)methylcarbamic acid
CID 77230594
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
2-[(2,6-dichlorophenyl)methylcarbamoylamino]acetic acid
CID 28880664

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea?
The IUPAC name of 1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea (CID 2811720) is 1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea is O=C(NCc1c(Cl)cccc1Oc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea?
The InChIKey is OHXGDRBSQPDOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-18-12-7-13-19(25-16-10-5-2-6-11-16)17(18)14-22-20(24)23-15-8-3-1-4-9-15/h1-13H,14H2,(H2,22,23,24).
What are the key properties of 1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea?
1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea has a molecular weight of 352.82 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-phenoxyphenyl)methyl]-3-phenylurea is sourced from PubChem (CID 2811720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).