4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid

C17H20Cl2N2O3 — CID 122024059

IUPAC4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)NC1(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H20Cl2N2O3/c18-13-6-3-11(9-14(13)19)17(7-8-17)21-16(24)20-12-4-1-10(2-5-12)15(22)23/h3,6,9-10,12H,1-2,4-5,7-8H2,(H,22,23)(H2,20,21,24)
InChIKeySMDNQFFFOXVSPV-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.93
Rot. Bonds4

About 4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122024059) has the molecular formula C17H20Cl2N2O3 and a molecular weight of 371.26 g/mol. Its IUPAC name is 4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122024059
Molecular FormulaC17H20Cl2N2O3
Molecular Weight371.26 g/mol
Exact Mass370.09
IUPAC Name4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)NC1(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H20Cl2N2O3/c18-13-6-3-11(9-14(13)19)17(7-8-17)21-16(24)20-12-4-1-10(2-5-12)15(22)23/h3,6,9-10,12H,1-2,4-5,7-8H2,(H,22,23)(H2,20,21,24)
InChIKeySMDNQFFFOXVSPV-UHFFFAOYSA-N
XLogP3.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(3-fluorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023436
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023334
1-[1-(3-aminophenyl)cyclopropyl]-3-cyclopropylurea
CID 110490977
4-(3,4-dichloroanilino)cyclohexane-1-carboxylic acid
CID 112753567
4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230221
1-cyclopropyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
CID 110469915
(2R)-N-[1-(3,4-dichlorophenyl)cyclopropyl]-1,4-dioxane-2-carboxamide
CID 94216385
4-[4-(3,4-dichlorophenyl)butanoylamino]cyclohexane-1-carboxylic acid
CID 119229226
4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122008314
4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122015655
cyclopropanecarboxylic acid;3,4-dichloroaniline
CID 70417782
1-[1-(4-chlorophenyl)cyclopropyl]-3-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]cyclohexyl]urea
CID 23027060

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122024059) is 4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)NC1(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is SMDNQFFFOXVSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O3/c18-13-6-3-11(9-14(13)19)17(7-8-17)21-16(24)20-12-4-1-10(2-5-12)15(22)23/h3,6,9-10,12H,1-2,4-5,7-8H2,(H,22,23)(H2,20,21,24).
What are the key properties of 4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 371.26 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3,4-dichlorophenyl)cyclopropyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).