CID 162397475

C13H16NO — CID 162397475

IUPAC—
SMILESO=C(N[C@H]1[CH]CCCC1)c1ccccc1
InChIInChI=1S/C13H16NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1,3-4,7-9,12H,2,5-6,10H2,(H,14,15)/t12-/m0/s1
InChIKeyYSISPEIAWSTEKK-LBPRGKRZSA-N
MW202.28 g/mol
LogP2.56
Rot. Bonds2

About CID 162397475

CID 162397475 (PubChem CID 162397475) has the molecular formula C13H16NO and a molecular weight of 202.28 g/mol.

Molecular Properties

Compound NameCID 162397475
PubChem CID162397475
Molecular FormulaC13H16NO
Molecular Weight202.28 g/mol
Exact Mass202.12
IUPAC Name—
SMILESO=C(N[C@H]1[CH]CCCC1)c1ccccc1
InChIInChI=1S/C13H16NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1,3-4,7-9,12H,2,5-6,10H2,(H,14,15)/t12-/m0/s1
InChIKeyYSISPEIAWSTEKK-LBPRGKRZSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 15151853
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
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CID 85447885
N-(4-cyclohexylcyclooctyl)benzamide
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2-benzamidocyclopentane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of CID 162397475?
The IUPAC name of CID 162397475 (CID 162397475) is not available.
What is the SMILES notation for CID 162397475?
The canonical SMILES for CID 162397475 is O=C(N[C@H]1[CH]CCCC1)c1ccccc1.
What is the InChIKey of CID 162397475?
The InChIKey is YSISPEIAWSTEKK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H16NO/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1,3-4,7-9,12H,2,5-6,10H2,(H,14,15)/t12-/m0/s1.
What are the key properties of CID 162397475?
CID 162397475 has a molecular weight of 202.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162397475 is sourced from PubChem (CID 162397475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).