N-benzhydrylcyclopentanecarboxamide

C19H21NO — CID 844995

IUPACN-benzhydrylcyclopentanecarboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCCC1
InChIInChI=1S/C19H21NO/c21-19(17-13-7-8-14-17)20-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2,(H,20,21)
InChIKeyYYCPWDKNMUVBLV-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.08
Rot. Bonds4

About N-benzhydrylcyclopentanecarboxamide

N-benzhydrylcyclopentanecarboxamide (PubChem CID 844995) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is N-benzhydrylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-benzhydrylcyclopentanecarboxamide
PubChem CID844995
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC NameN-benzhydrylcyclopentanecarboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)C1CCCC1
InChIInChI=1S/C19H21NO/c21-19(17-13-7-8-14-17)20-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2,(H,20,21)
InChIKeyYYCPWDKNMUVBLV-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzhydrylcyclopentanecarboxamide?
The IUPAC name of N-benzhydrylcyclopentanecarboxamide (CID 844995) is N-benzhydrylcyclopentanecarboxamide.
What is the SMILES notation for N-benzhydrylcyclopentanecarboxamide?
The canonical SMILES for N-benzhydrylcyclopentanecarboxamide is O=C(NC(c1ccccc1)c1ccccc1)C1CCCC1.
What is the InChIKey of N-benzhydrylcyclopentanecarboxamide?
The InChIKey is YYCPWDKNMUVBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-19(17-13-7-8-14-17)20-18(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2,(H,20,21).
What are the key properties of N-benzhydrylcyclopentanecarboxamide?
N-benzhydrylcyclopentanecarboxamide has a molecular weight of 279.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydrylcyclopentanecarboxamide is sourced from PubChem (CID 844995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).