N-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide

C18H19NO2 — CID 111445443

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide
SMILESO=C(NCC1(O)CCC1)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H19NO2/c20-17(19-13-18(21)11-6-12-18)16-10-5-4-9-15(16)14-7-2-1-3-8-14/h1-5,7-10,21H,6,11-13H2,(H,19,20)
InChIKeyKDNMVUZQVMVUDE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.00
Rot. Bonds4

About N-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide

N-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide (PubChem CID 111445443) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide
PubChem CID111445443
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide
SMILESO=C(NCC1(O)CCC1)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H19NO2/c20-17(19-13-18(21)11-6-12-18)16-10-5-4-9-15(16)14-7-2-1-3-8-14/h1-5,7-10,21H,6,11-13H2,(H,19,20)
InChIKeyKDNMVUZQVMVUDE-UHFFFAOYSA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445640
N-[(1-hydroxycyclobutyl)methyl]-N'-(2-phenylphenyl)oxamide
CID 111435548
2-acetyl-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111538677
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111539711
2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide
CID 113248973
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide
CID 111445607
N-[(1-hydroxycyclobutyl)methyl]-2-methylquinoline-4-carboxamide
CID 115643532

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide (CID 111445443) is N-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide is O=C(NCC1(O)CCC1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide?
The InChIKey is KDNMVUZQVMVUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-17(19-13-18(21)11-6-12-18)16-10-5-4-9-15(16)14-7-2-1-3-8-14/h1-5,7-10,21H,6,11-13H2,(H,19,20).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide?
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide has a molecular weight of 281.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide is sourced from PubChem (CID 111445443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).