1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea

C13H17Cl2N3O — CID 93452783

IUPAC1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea
SMILESN[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O/c14-9-6-5-8(7-10(9)15)17-13(19)18-12-4-2-1-3-11(12)16/h5-7,11-12H,1-4,16H2,(H2,17,18,19)/t11-,12-/m1/s1
InChIKeyXFLFOBISFCIVQB-VXGBXAGGSA-N
MW302.21 g/mol
LogP3.38
Rot. Bonds2

About 1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea

1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea (PubChem CID 93452783) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea
PubChem CID93452783
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea
SMILESN[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O/c14-9-6-5-8(7-10(9)15)17-13(19)18-12-4-2-1-3-11(12)16/h5-7,11-12H,1-4,16H2,(H2,17,18,19)/t11-,12-/m1/s1
InChIKeyXFLFOBISFCIVQB-VXGBXAGGSA-N
XLogP3.38
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminocyclopentyl)-3-(3,5-dichlorophenyl)urea
CID 107654072
1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea
CID 55150019
1-[(1R,2R)-2-aminocyclohexyl]-3-(3-methylphenyl)urea
CID 93452802
1-(2-aminocyclopentyl)-3-phenylurea
CID 63251660
1-(2-aminocyclopentyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 63251608
1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652933
1-(3-chloro-4-cyanophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111636109
N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide
CID 2059042
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617
1-(3-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16776834
1-(azepan-4-yl)-3-(3,4-dichlorophenyl)urea
CID 107172624
N-cyclohexyl-N'-(3,4-dichlorophenyl)oxamide
CID 2058101

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea (CID 93452783) is 1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea is N[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea?
The InChIKey is XFLFOBISFCIVQB-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c14-9-6-5-8(7-10(9)15)17-13(19)18-12-4-2-1-3-11(12)16/h5-7,11-12H,1-4,16H2,(H2,17,18,19)/t11-,12-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea?
1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea has a molecular weight of 302.21 g/mol, XLogP of 3.38, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-aminocyclohexyl]-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 93452783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).