(1R,2R,3R,4S)-3-(3,4-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H15Cl2NO — CID 10517139

IUPAC(1R,2R,3R,4S)-3-(3,4-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2NO/c15-10-4-3-9(6-11(10)16)12-7-1-2-8(5-7)13(12)14(17)18/h3-4,6-8,12-13H,1-2,5H2,(H2,17,18)/t7-,8+,12-,13+/m0/s1
InChIKeyPUFLRTKQIDDJLW-HYRRULHTSA-N
MW284.19 g/mol
LogP3.61
Rot. Bonds2

About (1R,2R,3R,4S)-3-(3,4-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,3R,4S)-3-(3,4-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 10517139) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is (1R,2R,3R,4S)-3-(3,4-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,3R,4S)-3-(3,4-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID10517139
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name(1R,2R,3R,4S)-3-(3,4-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2NO/c15-10-4-3-9(6-11(10)16)12-7-1-2-8(5-7)13(12)14(17)18/h3-4,6-8,12-13H,1-2,5H2,(H2,17,18)/t7-,8+,12-,13+/m0/s1
InChIKeyPUFLRTKQIDDJLW-HYRRULHTSA-N
XLogP3.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2R,3R,4S)-3-(3,4-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
3-(3,4-dichlorophenyl)cyclopentan-1-ol
CID 64516023
1-[2-chloro-3-(3,4-dichlorophenyl)cyclopropyl]ethenamine
CID 138652941
(2R,3R)-3-(3-bromo-4-fluorophenyl)-N-(diaminomethylidene)bicyclo[2.2.1]heptane-2-carboxamide
CID 54204507
(2R,3R)-3-(4-bromophenyl)-N-(diaminomethylidene)bicyclo[2.2.1]heptane-2-carboxamide
CID 54500226
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 95002465
cis-(1R,2R)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 95002466
2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
CID 94418866
(1R,2S,3R,4S)-3-carbamoylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 162394068
3-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]bicyclo[2.2.1]heptan-2-amine
CID 81494260
(1R,2S,10S,11R,12S)-5,7-dichloro-10-(3,4-dichlorophenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene
CID 46177886

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S)-3-(3,4-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,3R,4S)-3-(3,4-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 10517139) is (1R,2R,3R,4S)-3-(3,4-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,3R,4S)-3-(3,4-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,3R,4S)-3-(3,4-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide is NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1R,2R,3R,4S)-3-(3,4-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is PUFLRTKQIDDJLW-HYRRULHTSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c15-10-4-3-9(6-11(10)16)12-7-1-2-8(5-7)13(12)14(17)18/h3-4,6-8,12-13H,1-2,5H2,(H2,17,18)/t7-,8+,12-,13+/m0/s1.
What are the key properties of (1R,2R,3R,4S)-3-(3,4-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,3R,4S)-3-(3,4-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 284.19 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S)-3-(3,4-dichlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 10517139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).