1-[(2-chlorophenyl)methyl]-3-(3,3-diphenylpropyl)urea

C23H23ClN2O — CID 59729011

IUPAC1-[(2-chlorophenyl)methyl]-3-(3,3-diphenylpropyl)urea
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C23H23ClN2O/c24-22-14-8-7-13-20(22)17-26-23(27)25-16-15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,21H,15-17H2,(H2,25,26,27)
InChIKeyHMDKXSRLFBIFGU-UHFFFAOYSA-N
MW378.90 g/mol
LogP5.36
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-3-(3,3-diphenylpropyl)urea

1-[(2-chlorophenyl)methyl]-3-(3,3-diphenylpropyl)urea (PubChem CID 59729011) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(3,3-diphenylpropyl)urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(3,3-diphenylpropyl)urea
PubChem CID59729011
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(3,3-diphenylpropyl)urea
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C23H23ClN2O/c24-22-14-8-7-13-20(22)17-26-23(27)25-16-15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,21H,15-17H2,(H2,25,26,27)
InChIKeyHMDKXSRLFBIFGU-UHFFFAOYSA-N
XLogP5.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Bis[(2-chlorophenyl)methyl]urea
CID 623497
Cumyluron
CID 11709249
N-(2,4-dichlorobenzyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 42647178
4-((4-Chlorophenyl)(2,4-dichlorophenyl)methyl)-N-cyclohexylpiperazine-1-carboxamide
CID 44176908
N,N'-Di(p-chlorobenzyl)urea
CID 253257
N-(4-chlorobenzyl)-N'-cyclohexylurea
CID 306771
[(2-Chlorophenyl)methyl]urea
CID 1484506
N-benzhydryl-4-[(2-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 11620221
N-Butyl-4-[(2,4-dichlorophenyl)(phenyl)methyl]piperazine-1-carboxamide
CID 44177148
N-Cyclohexyl-4-[(2,4-dichlorophenyl)(phenyl)methyl]-piperazine-1-carboxamide
CID 44177149
N-cyclohexyl-4-((2,5-dichlorophenyl)(phenyl)methyl)piperazine-1-carboxamide
CID 44177475
N-cyclohexyl-4-[(2,6-dichlorophenyl)(phenyl)methyl]piperazine-1-carboxamide
CID 44177477

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(3,3-diphenylpropyl)urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(3,3-diphenylpropyl)urea (CID 59729011) is 1-[(2-chlorophenyl)methyl]-3-(3,3-diphenylpropyl)urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(3,3-diphenylpropyl)urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(3,3-diphenylpropyl)urea is O=C(NCCC(c1ccccc1)c1ccccc1)NCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(3,3-diphenylpropyl)urea?
The InChIKey is HMDKXSRLFBIFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O/c24-22-14-8-7-13-20(22)17-26-23(27)25-16-15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,21H,15-17H2,(H2,25,26,27).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(3,3-diphenylpropyl)urea?
1-[(2-chlorophenyl)methyl]-3-(3,3-diphenylpropyl)urea has a molecular weight of 378.90 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(3,3-diphenylpropyl)urea is sourced from PubChem (CID 59729011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).