1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea

C14H19Cl2N3O — CID 107654170

IUPAC1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1cc(Cl)cc(Cl)c1)C1CCCC1CN
InChIInChI=1S/C14H19Cl2N3O/c1-19(13-4-2-3-9(13)8-17)14(20)18-12-6-10(15)5-11(16)7-12/h5-7,9,13H,2-4,8,17H2,1H3,(H,18,20)
InChIKeyKYBJTSYWYGKWAV-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.58
Rot. Bonds3

About 1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea

1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea (PubChem CID 107654170) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea
PubChem CID107654170
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1cc(Cl)cc(Cl)c1)C1CCCC1CN
InChIInChI=1S/C14H19Cl2N3O/c1-19(13-4-2-3-9(13)8-17)14(20)18-12-6-10(15)5-11(16)7-12/h5-7,9,13H,2-4,8,17H2,1H3,(H,18,20)
InChIKeyKYBJTSYWYGKWAV-UHFFFAOYSA-N
XLogP3.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea 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

3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea
CID 107653604
1-[2-(aminomethyl)cyclopentyl]-3-benzyl-1-methylurea
CID 107654169
3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea
CID 95706166
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3-chloro-N-methylbenzamide
CID 81295179
N-[2-(aminomethyl)cyclohexyl]-3-chloro-4-fluoro-N-methylbenzamide
CID 82880142
3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea
CID 95706051
1-(2-cyclopropyl-2-hydroxyethyl)-3-(3,5-dichlorophenyl)-1-methylurea
CID 111859033
N-[2-(aminomethyl)cyclopentyl]-N,2,2-trimethylcyclopropane-1-carboxamide
CID 107002255
1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 103709987
3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea
CID 102633134
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 107677154
N-[2-(aminomethyl)cyclopentyl]-2-bromo-N,5-dimethylbenzamide
CID 81112557

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea?
The IUPAC name of 1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea (CID 107654170) is 1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea.
What is the SMILES notation for 1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea?
The canonical SMILES for 1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea is CN(C(=O)Nc1cc(Cl)cc(Cl)c1)C1CCCC1CN.
What is the InChIKey of 1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea?
The InChIKey is KYBJTSYWYGKWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-19(13-4-2-3-9(13)8-17)14(20)18-12-6-10(15)5-11(16)7-12/h5-7,9,13H,2-4,8,17H2,1H3,(H,18,20).
What are the key properties of 1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea?
1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea has a molecular weight of 316.23 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea is sourced from PubChem (CID 107654170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).