4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid

C18H22Cl2N2O3 — CID 122014713

IUPAC4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)NC(c1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C18H22Cl2N2O3/c19-13-2-1-3-14(20)15(13)16(10-4-5-10)22-18(25)21-12-8-6-11(7-9-12)17(23)24/h1-3,10-12,16H,4-9H2,(H,23,24)(H2,21,22,25)
InChIKeyHSALAJFJJVJWKK-UHFFFAOYSA-N
MW385.29 g/mol
LogP4.39
Rot. Bonds5

About 4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122014713) has the molecular formula C18H22Cl2N2O3 and a molecular weight of 385.29 g/mol. Its IUPAC name is 4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122014713
Molecular FormulaC18H22Cl2N2O3
Molecular Weight385.29 g/mol
Exact Mass384.10
IUPAC Name4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)NC(c1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C18H22Cl2N2O3/c19-13-2-1-3-14(20)15(13)16(10-4-5-10)22-18(25)21-12-8-6-11(7-9-12)17(23)24/h1-3,10-12,16H,4-9H2,(H,23,24)(H2,21,22,25)
InChIKeyHSALAJFJJVJWKK-UHFFFAOYSA-N
XLogP4.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]amino]cyclohexane-1-carboxylic acid
CID 122034520
4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001950
4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61198859
4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017165
4-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017510
4-[[3-(2-chlorophenyl)cyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122015655
4-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122003838
4-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122005305
4-[1-(5-chlorothiophen-2-yl)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122002220
4-[[3-chloro-2-(2,2-difluoroethylsulfanyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122085114
2-cyclopropyl-2-[(2,6-dichlorobenzoyl)amino]acetic acid
CID 62694940
4-[[1-(2-chlorophenyl)cyclopropyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122008314

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122014713) is 4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)NC(c1c(Cl)cccc1Cl)C1CC1.
What is the InChIKey of 4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is HSALAJFJJVJWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O3/c19-13-2-1-3-14(20)15(13)16(10-4-5-10)22-18(25)21-12-8-6-11(7-9-12)17(23)24/h1-3,10-12,16H,4-9H2,(H,23,24)(H2,21,22,25).
What are the key properties of 4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 385.29 g/mol, XLogP of 4.39, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122014713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).