(1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C14H14ClNO — CID 124568561

IUPAC(1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)[C@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C14H14ClNO/c15-12-3-1-2-4-13(12)16-14(17)11-8-9-5-6-10(11)7-9/h1-6,9-11H,7-8H2,(H,16,17)/t9-,10-,11-/m0/s1
InChIKeyRMOAMVYXYAMQJD-DCAQKATOSA-N
MW247.72 g/mol
LogP3.49
Rot. Bonds2

About (1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 124568561) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is (1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID124568561
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name(1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)[C@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C14H14ClNO/c15-12-3-1-2-4-13(12)16-14(17)11-8-9-5-6-10(11)7-9/h1-6,9-11H,7-8H2,(H,16,17)/t9-,10-,11-/m0/s1
InChIKeyRMOAMVYXYAMQJD-DCAQKATOSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chlorophenoxy)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 154750697
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid
CID 24701586
N-(2-propan-2-ylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42909018
N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906227
(1R,2R,3S,4R)-3-[(2-chlorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99782799
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
2-N-(2-chlorophenyl)-1-N-(3,5-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142850
(1R,2S,4S)-N-[2-(2-cyanoethylsulfanyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98160591
N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42905929
(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98514685
(1R,2S,4S)-N-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 100901111
N-(2-chlorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 4069270

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 124568561) is (1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is O=C(Nc1ccccc1Cl)[C@H]1C[C@H]2C=C[C@H]1C2.
What is the InChIKey of (1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is RMOAMVYXYAMQJD-DCAQKATOSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-12-3-1-2-4-13(12)16-14(17)11-8-9-5-6-10(11)7-9/h1-6,9-11H,7-8H2,(H,16,17)/t9-,10-,11-/m0/s1.
What are the key properties of (1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 247.72 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 124568561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).