2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide

C18H20N2O2 — CID 111445640

IUPAC2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1(O)CCC1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C18H20N2O2/c21-17(19-13-18(22)11-6-12-18)15-9-4-5-10-16(15)20-14-7-2-1-3-8-14/h1-5,7-10,20,22H,6,11-13H2,(H,19,21)
InChIKeyQYFGQULSHLGVSS-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.08
Rot. Bonds5

About 2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide

2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide (PubChem CID 111445640) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide
PubChem CID111445640
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide
SMILESO=C(NCC1(O)CCC1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C18H20N2O2/c21-17(19-13-18(22)11-6-12-18)15-9-4-5-10-16(15)20-14-7-2-1-3-8-14/h1-5,7-10,20,22H,6,11-13H2,(H,19,21)
InChIKeyQYFGQULSHLGVSS-UHFFFAOYSA-N
XLogP3.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide
CID 111445443
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
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-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
2-cyclobutyloxy-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111539711
2-anilino-N-(2-methoxyethyl)benzamide
CID 27659255
2-bromo-N-[(1-hydroxycyclobutyl)methyl]furan-3-carboxamide
CID 106854397
2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide
CID 113248973
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
4-benzamido-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331437

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The IUPAC name of 2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide (CID 111445640) is 2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide.
What is the SMILES notation for 2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The canonical SMILES for 2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide is O=C(NCC1(O)CCC1)c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide?
The InChIKey is QYFGQULSHLGVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17(19-13-18(22)11-6-12-18)15-9-4-5-10-16(15)20-14-7-2-1-3-8-14/h1-5,7-10,20,22H,6,11-13H2,(H,19,21).
What are the key properties of 2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide?
2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(1-hydroxycyclobutyl)methyl]benzamide is sourced from PubChem (CID 111445640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).