1-benzhydryl-3-(3,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]urea

C28H24Cl2N2O2 — CID 42709304

IUPAC1-benzhydryl-3-(3,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24Cl2N2O2/c1-34-26-15-9-8-14-22(26)19-32(28(33)31-23-16-17-24(29)25(30)18-23)27(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-18,27H,19H2,1H3,(H,31,33)
InChIKeyMGAYBYCBXSERMY-UHFFFAOYSA-N
MW491.42 g/mol
LogP7.83
Rot. Bonds7

About 1-benzhydryl-3-(3,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]urea

1-benzhydryl-3-(3,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]urea (PubChem CID 42709304) has the molecular formula C28H24Cl2N2O2 and a molecular weight of 491.42 g/mol. Its IUPAC name is 1-benzhydryl-3-(3,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-(3,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]urea
PubChem CID42709304
Molecular FormulaC28H24Cl2N2O2
Molecular Weight491.42 g/mol
Exact Mass490.12
IUPAC Name1-benzhydryl-3-(3,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24Cl2N2O2/c1-34-26-15-9-8-14-22(26)19-32(28(33)31-23-16-17-24(29)25(30)18-23)27(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-18,27H,19H2,1H3,(H,31,33)
InChIKeyMGAYBYCBXSERMY-UHFFFAOYSA-N
XLogP7.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.42
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)-1-(3-imidazol-1-ylpropyl)-1-[(2-methoxyphenyl)methyl]urea
CID 4204238
3-(4-chloro-3-fluorophenyl)-1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]urea
CID 55819798
N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034086
N-(3,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962989
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)acetamide
CID 9080426
3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 24528577
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
CID 24528585
1-[(2-methoxyphenyl)methyl]-1-[(1R)-1-phenylethyl]-3-pyridin-3-ylthiourea
CID 27520670
3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
CID 108991522
1-benzyl-3-(3,4-dimethoxyphenyl)-1-propan-2-ylurea
CID 108866155

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(3,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-benzhydryl-3-(3,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]urea (CID 42709304) is 1-benzhydryl-3-(3,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-benzhydryl-3-(3,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-benzhydryl-3-(3,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CN(C(=O)Nc1ccc(Cl)c(Cl)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(3,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]urea?
The InChIKey is MGAYBYCBXSERMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N2O2/c1-34-26-15-9-8-14-22(26)19-32(28(33)31-23-16-17-24(29)25(30)18-23)27(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-18,27H,19H2,1H3,(H,31,33).
What are the key properties of 1-benzhydryl-3-(3,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]urea?
1-benzhydryl-3-(3,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]urea has a molecular weight of 491.42 g/mol, XLogP of 7.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(3,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 42709304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).