1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea

C21H19ClN2O — CID 23987254

IUPAC1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea
SMILESCc1ccc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C21H19ClN2O/c1-15-7-8-16(13-20(15)22)14-23-21(25)24-19-11-9-18(10-12-19)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H2,23,24,25)
InChIKeyIFGYBBVKTGFCRU-UHFFFAOYSA-N
MW350.85 g/mol
LogP5.64
Rot. Bonds4

About 1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea

1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea (PubChem CID 23987254) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is 1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea
PubChem CID23987254
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC Name1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea
SMILESCc1ccc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1Cl
InChIInChI=1S/C21H19ClN2O/c1-15-7-8-16(13-20(15)22)14-23-21(25)24-19-11-9-18(10-12-19)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H2,23,24,25)
InChIKeyIFGYBBVKTGFCRU-UHFFFAOYSA-N
XLogP5.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.85
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
1-(4-methylphenyl)-3-[[3-(4-methylphenyl)phenyl]methyl]urea
CID 146076602
1-[(3-chloro-4-methylphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 3821078
1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-methylphenyl)urea
CID 51168538
1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea
CID 155436724
1-benzyl-3-[4-(4-methoxy-3-methylphenyl)phenyl]urea
CID 142000111
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-(3-chloro-4-methylphenyl)-3-[[3-ethyl-4-(2-methylbutanoyl)phenyl]methyl]urea
CID 166985301
1-[(3,4-dichlorophenyl)methyl]-3-[4-[(2-phenylphenyl)sulfinylamino]phenyl]urea;hydrate
CID 162310749
1-(3-chloro-4-methylphenyl)-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 3865446
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea
CID 47192222

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea?
The IUPAC name of 1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea (CID 23987254) is 1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea?
The canonical SMILES for 1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea is Cc1ccc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea?
The InChIKey is IFGYBBVKTGFCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O/c1-15-7-8-16(13-20(15)22)14-23-21(25)24-19-11-9-18(10-12-19)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H2,23,24,25).
What are the key properties of 1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea?
1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea has a molecular weight of 350.85 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-methylphenyl)methyl]-3-(4-phenylphenyl)urea is sourced from PubChem (CID 23987254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).