4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide

C21H24ClN3O3 — CID 60573055

IUPAC4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C21H24ClN3O3/c1-25(20(27)14-2-4-15(22)5-3-14)18-10-6-16(7-11-18)23-21(28)24-17-8-12-19(26)13-9-17/h2-7,10-11,17,19,26H,8-9,12-13H2,1H3,(H2,23,24,28)
InChIKeySJSJQOAOSXFVCP-UHFFFAOYSA-N
MW401.89 g/mol
LogP4.04
Rot. Bonds4

About 4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide

4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide (PubChem CID 60573055) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide
PubChem CID60573055
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NC2CCC(O)CC2)cc1
InChIInChI=1S/C21H24ClN3O3/c1-25(20(27)14-2-4-15(22)5-3-14)18-10-6-16(7-11-18)23-21(28)24-17-8-12-19(26)13-9-17/h2-7,10-11,17,19,26H,8-9,12-13H2,1H3,(H2,23,24,28)
InChIKeySJSJQOAOSXFVCP-UHFFFAOYSA-N
XLogP4.04
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide 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

4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide
CID 60572957
4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
CID 47181034
1-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide
CID 60577488
4-chloro-N-methyl-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410939
methyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate
CID 115616953
4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide
CID 60577820
N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 39932630
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
CID 53255615
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
CID 11026212

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide?
The IUPAC name of 4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide (CID 60573055) is 4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide is CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NC2CCC(O)CC2)cc1.
What is the InChIKey of 4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide?
The InChIKey is SJSJQOAOSXFVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-25(20(27)14-2-4-15(22)5-3-14)18-10-6-16(7-11-18)23-21(28)24-17-8-12-19(26)13-9-17/h2-7,10-11,17,19,26H,8-9,12-13H2,1H3,(H2,23,24,28).
What are the key properties of 4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide?
4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide has a molecular weight of 401.89 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide is sourced from PubChem (CID 60573055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).