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

C15H16ClNO — CID 98252305

IUPAC(1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12
InChIInChI=1S/C15H16ClNO/c16-10-3-5-11(6-4-10)17-15(18)14-12-8-1-2-9(7-8)13(12)14/h3-6,8-9,12-14H,1-2,7H2,(H,17,18)/t8-,9-,12+,13+/m0/s1
InChIKeyPVCPOUAXDFRYDJ-RBJBARPLSA-N
MW261.75 g/mol
LogP3.57
Rot. Bonds2

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

(1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 98252305) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is (1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound Name(1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID98252305
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name(1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12
InChIInChI=1S/C15H16ClNO/c16-10-3-5-11(6-4-10)17-15(18)14-12-8-1-2-9(7-8)13(12)14/h3-6,8-9,12-14H,1-2,7H2,(H,17,18)/t8-,9-,12+,13+/m0/s1
InChIKeyPVCPOUAXDFRYDJ-RBJBARPLSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S,4S,5R)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98136697
(1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98126766
(1S,2R,4R,5S)-N-(4-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98237630
(1S,2R,4R,5S)-N-(2,4-dichlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98230227
3-[4-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]phenyl]propanoic acid
CID 98870422
N-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760902
(1R,2S,4S,5R)-N-(5-chloro-2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98197726
(1S,2S,3S,4R)-2-N,3-N-bis(4-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 1100687
S-[4-(tricyclo[3.2.1.02,4]octane-3-carbonylamino)phenyl] N,N-dimethylcarbamothioate
CID 102559631
(1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98189669
(1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7720013
N-(5-bromo-2-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760899

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of (1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 98252305) is (1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for (1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for (1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12.
What is the InChIKey of (1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is PVCPOUAXDFRYDJ-RBJBARPLSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-10-3-5-11(6-4-10)17-15(18)14-12-8-1-2-9(7-8)13(12)14/h3-6,8-9,12-14H,1-2,7H2,(H,17,18)/t8-,9-,12+,13+/m0/s1.
What are the key properties of (1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
(1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 261.75 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 98252305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).