N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide

C14H17NO — CID 6980977

IUPACN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESO=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1
InChIInChI=1S/C14H17NO/c16-14(11-4-2-1-3-5-11)15-13-9-10-6-7-12(13)8-10/h1-5,10,12-13H,6-9H2,(H,15,16)/t10-,12-,13+/m1/s1
InChIKeyOMKJOVVKLPKENU-RTXFEEFZSA-N
MW215.30 g/mol
LogP2.61
Rot. Bonds2

About N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide (PubChem CID 6980977) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
PubChem CID6980977
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESO=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1
InChIInChI=1S/C14H17NO/c16-14(11-4-2-1-3-5-11)15-13-9-10-6-7-12(13)8-10/h1-5,10,12-13H,6-9H2,(H,15,16)/t10-,12-,13+/m1/s1
InChIKeyOMKJOVVKLPKENU-RTXFEEFZSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(phenylsulfanylmethyl)benzamide
CID 958858
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide
CID 100580644
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
CID 125073491
4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 11899057
N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide
CID 102851737
2-(2-bicyclo[2.2.1]heptanylamino)-1-phenylethanone
CID 68543385
N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide
CID 11630293
4-[benzenesulfonyl(methyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 23229827
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylbenzamide
CID 958830
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-iodobenzamide
CID 23306993

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide?
The IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide (CID 6980977) is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide.
What is the SMILES notation for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide?
The canonical SMILES for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide is O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccccc1.
What is the InChIKey of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide?
The InChIKey is OMKJOVVKLPKENU-RTXFEEFZSA-N. The full InChI is InChI=1S/C14H17NO/c16-14(11-4-2-1-3-5-11)15-13-9-10-6-7-12(13)8-10/h1-5,10,12-13H,6-9H2,(H,15,16)/t10-,12-,13+/m1/s1.
What are the key properties of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide?
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide has a molecular weight of 215.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide is sourced from PubChem (CID 6980977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).