N-[1-(2-bicyclo[2.2.1]heptanyl)ethenyl]-3,4-dichloroaniline

C15H17Cl2N — CID 175611502

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethenyl]-3,4-dichloroaniline
SMILESC=C(Nc1ccc(Cl)c(Cl)c1)C1CC2CCC1C2
InChIInChI=1S/C15H17Cl2N/c1-9(13-7-10-2-3-11(13)6-10)18-12-4-5-14(16)15(17)8-12/h4-5,8,10-11,13,18H,1-3,6-7H2
InChIKeyKFPCUPZBPMCJQA-UHFFFAOYSA-N
MW282.21 g/mol
LogP5.36
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethenyl]-3,4-dichloroaniline

N-[1-(2-bicyclo[2.2.1]heptanyl)ethenyl]-3,4-dichloroaniline (PubChem CID 175611502) has the molecular formula C15H17Cl2N and a molecular weight of 282.21 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethenyl]-3,4-dichloroaniline.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethenyl]-3,4-dichloroaniline
PubChem CID175611502
Molecular FormulaC15H17Cl2N
Molecular Weight282.21 g/mol
Exact Mass281.07
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethenyl]-3,4-dichloroaniline
SMILESC=C(Nc1ccc(Cl)c(Cl)c1)C1CC2CCC1C2
InChIInChI=1S/C15H17Cl2N/c1-9(13-7-10-2-3-11(13)6-10)18-12-4-5-14(16)15(17)8-12/h4-5,8,10-11,13,18H,1-3,6-7H2
InChIKeyKFPCUPZBPMCJQA-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.21
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R,4R)-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 51027350
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(3,4-dichlorophenyl)urea
CID 98157357
1-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 98228227
1-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(3,4-dichlorophenyl)urea
CID 98228228
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18556660
N-(3,4-dichlorophenyl)adamantan-2-amine
CID 43621642
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 21174252
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51121271
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(3-chloro-4-fluorophenyl)thiourea
CID 92511695
N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 4069270
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 11915186
2-bicyclo[2.2.1]heptanyl-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 22109780

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethenyl]-3,4-dichloroaniline?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethenyl]-3,4-dichloroaniline (CID 175611502) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethenyl]-3,4-dichloroaniline.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethenyl]-3,4-dichloroaniline?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethenyl]-3,4-dichloroaniline is C=C(Nc1ccc(Cl)c(Cl)c1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethenyl]-3,4-dichloroaniline?
The InChIKey is KFPCUPZBPMCJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N/c1-9(13-7-10-2-3-11(13)6-10)18-12-4-5-14(16)15(17)8-12/h4-5,8,10-11,13,18H,1-3,6-7H2.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethenyl]-3,4-dichloroaniline?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethenyl]-3,4-dichloroaniline has a molecular weight of 282.21 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethenyl]-3,4-dichloroaniline is sourced from PubChem (CID 175611502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).