1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea

C15H24ClN3O — CID 110301541

IUPAC1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea
SMILESCCN(CC)C(C)CNC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-4-19(5-2)12(3)10-17-15(20)18-11-13-7-6-8-14(16)9-13/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,20)
InChIKeyZCQFGKINHGALKY-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.87
Rot. Bonds7

About 1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea

1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea (PubChem CID 110301541) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea
PubChem CID110301541
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea
SMILESCCN(CC)C(C)CNC(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C15H24ClN3O/c1-4-19(5-2)12(3)10-17-15(20)18-11-13-7-6-8-14(16)9-13/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,20)
InChIKeyZCQFGKINHGALKY-UHFFFAOYSA-N
XLogP2.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea 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-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea
CID 110301965
1-[(3-chlorophenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426617
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[2-(diethylamino)propyl]urea
CID 110893643
1-[(3-chlorophenyl)methyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 110307002
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778
N-[(3-chlorophenyl)methyl]-2-ethylbutanamide
CID 17071149
1-[(5-chloro-2-methylphenyl)methyl]-3-[(3-chlorophenyl)methyl]urea
CID 42609411
4-amino-N-[(3-chlorophenyl)methyl]-2-methylbutanamide
CID 80542146
3-[(3-chlorophenyl)methylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428746
2-[(3-chlorophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 55024264
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
CID 70795299

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea (CID 110301541) is 1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea is CCN(CC)C(C)CNC(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea?
The InChIKey is ZCQFGKINHGALKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-19(5-2)12(3)10-17-15(20)18-11-13-7-6-8-14(16)9-13/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea?
1-[(3-chlorophenyl)methyl]-3-[2-(diethylamino)propyl]urea has a molecular weight of 297.83 g/mol, XLogP of 2.87, 7 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-(diethylamino)propyl]urea is sourced from PubChem (CID 110301541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).