1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea

C18H22ClN3O — CID 110301965

IUPAC1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea
SMILESCN(C)C(CNC(=O)NCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H22ClN3O/c1-22(2)17(15-8-4-3-5-9-15)13-21-18(23)20-12-14-7-6-10-16(19)11-14/h3-11,17H,12-13H2,1-2H3,(H2,20,21,23)
InChIKeySHWXZVLCBWYSMU-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.44
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea

1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea (PubChem CID 110301965) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea
PubChem CID110301965
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea
SMILESCN(C)C(CNC(=O)NCc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C18H22ClN3O/c1-22(2)17(15-8-4-3-5-9-15)13-21-18(23)20-12-14-7-6-10-16(19)11-14/h3-11,17H,12-13H2,1-2H3,(H2,20,21,23)
InChIKeySHWXZVLCBWYSMU-UHFFFAOYSA-N
XLogP3.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea
CID 32838068
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112800289
1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea
CID 110301541
1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 55924789
1-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314007
1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314006
1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426617
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
1-benzyl-3-[(1S)-1-(3-chlorophenyl)ethyl]urea
CID 27533669
cis-(1R,3S)-3-[[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 100851387
3-(benzylcarbamoylamino)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]propanamide
CID 30526143
3-(benzylcarbamoylamino)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]propanamide
CID 24640092

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea (CID 110301965) is 1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea is CN(C)C(CNC(=O)NCc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea?
The InChIKey is SHWXZVLCBWYSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-22(2)17(15-8-4-3-5-9-15)13-21-18(23)20-12-14-7-6-10-16(19)11-14/h3-11,17H,12-13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea?
1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea has a molecular weight of 331.85 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea is sourced from PubChem (CID 110301965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).