(1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C16H18ClNO — CID 98197726

IUPAC(1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1[C@H]2[C@@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C16H18ClNO/c1-8-2-5-11(17)7-12(8)18-16(19)15-13-9-3-4-10(6-9)14(13)15/h2,5,7,9-10,13-15H,3-4,6H2,1H3,(H,18,19)/t9-,10-,13+,14+/m1/s1
InChIKeyVWWRZBUAFTXZNP-JYILRKAJSA-N
MW275.78 g/mol
LogP3.88
Rot. Bonds2

About (1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

(1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 98197726) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is (1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound Name(1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID98197726
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name(1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1[C@H]2[C@@H]3CC[C@H](C3)[C@H]12
InChIInChI=1S/C16H18ClNO/c1-8-2-5-11(17)7-12(8)18-16(19)15-13-9-3-4-10(6-9)14(13)15/h2,5,7,9-10,13-15H,3-4,6H2,1H3,(H,18,19)/t9-,10-,13+,14+/m1/s1
InChIKeyVWWRZBUAFTXZNP-JYILRKAJSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide with MolForge

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Related Compounds

(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98230227
(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 685768
N-(4-hydroxy-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103820530
(1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98252305
(1R,2S,4S,5R)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98136697
(1R,2S,3S,4R)-3-[(5-chloro-2-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 18390508
(1R,2S,3R,4R)-3-[(5-chloro-2-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124604304
3-amino-N-(5-chloro-2-methylphenyl)cyclopentane-1-carboxamide
CID 66032471
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760899
N-(2-chloro-5-methyl-3-pyridinyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
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2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 131001051

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of (1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 98197726) is (1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for (1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for (1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1[C@H]2[C@@H]3CC[C@H](C3)[C@H]12.
What is the InChIKey of (1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is VWWRZBUAFTXZNP-JYILRKAJSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-8-2-5-11(17)7-12(8)18-16(19)15-13-9-3-4-10(6-9)14(13)15/h2,5,7,9-10,13-15H,3-4,6H2,1H3,(H,18,19)/t9-,10-,13+,14+/m1/s1.
What are the key properties of (1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
(1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 275.78 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 98197726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).