4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide

C15H18ClNO2 — CID 138012678

IUPAC4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide
SMILESO=C(N[C@H]1C[C@H]2CC(CO)C[C@H]21)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO2/c16-12-3-1-10(2-4-12)15(19)17-14-7-11-5-9(8-18)6-13(11)14/h1-4,9,11,13-14,18H,5-8H2,(H,17,19)/t9?,11-,13-,14+/m1/s1
InChIKeyYGFHGIJPKPENMP-PJTMPNICSA-N
MW279.77 g/mol
LogP2.48
Rot. Bonds3

About 4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide

4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide (PubChem CID 138012678) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide
PubChem CID138012678
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide
SMILESO=C(N[C@H]1C[C@H]2CC(CO)C[C@H]21)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO2/c16-12-3-1-10(2-4-12)15(19)17-14-7-11-5-9(8-18)6-13(11)14/h1-4,9,11,13-14,18H,5-8H2,(H,17,19)/t9?,11-,13-,14+/m1/s1
InChIKeyYGFHGIJPKPENMP-PJTMPNICSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide with MolForge

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Related Compounds

N-(2-aminocyclopropyl)-4-chlorobenzamide
CID 43593825
4-chloro-N-[(1S,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]benzamide
CID 97039827
4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
CID 50909108
4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43710188
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
4-acetamido-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43063071
N-[3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]-2,3,3-trimethylbutanamide
CID 165458492
N-[(4aR,8R,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-4-chlorobenzamide
CID 90679027
4-chloro-N-(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl)benzamide
CID 12596837
4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 155257067
N-(2-aminocycloheptyl)-4-chlorobenzamide
CID 63258248

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide (CID 138012678) is 4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide is O=C(N[C@H]1C[C@H]2CC(CO)C[C@H]21)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide?
The InChIKey is YGFHGIJPKPENMP-PJTMPNICSA-N. The full InChI is InChI=1S/C15H18ClNO2/c16-12-3-1-10(2-4-12)15(19)17-14-7-11-5-9(8-18)6-13(11)14/h1-4,9,11,13-14,18H,5-8H2,(H,17,19)/t9?,11-,13-,14+/m1/s1.
What are the key properties of 4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide?
4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide has a molecular weight of 279.77 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,5R,6S)-3-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]benzamide is sourced from PubChem (CID 138012678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).