[3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid

C13H12Cl2N2O3 — CID 170165075

IUPAC[3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
SMILESO=C(O)NC12CC(C(=O)Nc3ccc(Cl)c(Cl)c3)(C1)C2
InChIInChI=1S/C13H12Cl2N2O3/c14-8-2-1-7(3-9(8)15)16-10(18)12-4-13(5-12,6-12)17-11(19)20/h1-3,17H,4-6H2,(H,16,18)(H,19,20)
InChIKeyXQLQGODVPQVDTO-UHFFFAOYSA-N
MW315.16 g/mol
LogP3.12
Rot. Bonds3

About [3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid

[3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid (PubChem CID 170165075) has the molecular formula C13H12Cl2N2O3 and a molecular weight of 315.16 g/mol. Its IUPAC name is [3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid.

Molecular Properties

Compound Name[3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
PubChem CID170165075
Molecular FormulaC13H12Cl2N2O3
Molecular Weight315.16 g/mol
Exact Mass314.02
IUPAC Name[3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
SMILESO=C(O)NC12CC(C(=O)Nc3ccc(Cl)c(Cl)c3)(C1)C2
InChIInChI=1S/C13H12Cl2N2O3/c14-8-2-1-7(3-9(8)15)16-10(18)12-4-13(5-12,6-12)17-11(19)20/h1-3,17H,4-6H2,(H,16,18)(H,19,20)
InChIKeyXQLQGODVPQVDTO-UHFFFAOYSA-N
XLogP3.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 7039242
(1R)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 7039241
2-[(3,4-dichlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270474
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
CID 71381636
N-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide
CID 90914024
N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211833
1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108974881
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
1-(azepane-1-carbonyl)-N-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 108980503
N-(3,4-dichlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18270009
3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea
CID 12537925
1-N'-(3,4-dichlorophenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977196

Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The IUPAC name of [3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid (CID 170165075) is [3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid.
What is the SMILES notation for [3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The canonical SMILES for [3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid is O=C(O)NC12CC(C(=O)Nc3ccc(Cl)c(Cl)c3)(C1)C2.
What is the InChIKey of [3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
The InChIKey is XQLQGODVPQVDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3/c14-8-2-1-7(3-9(8)15)16-10(18)12-4-13(5-12,6-12)17-11(19)20/h1-3,17H,4-6H2,(H,16,18)(H,19,20).
What are the key properties of [3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid?
[3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid has a molecular weight of 315.16 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid is sourced from PubChem (CID 170165075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).