N-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide

C19H22N2O3 — CID 111744569

IUPACN-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide
SMILESO=C(NCC1(O)CCCCC1)c1ccc(C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C19H22N2O3/c22-17(16-8-11-20-12-16)14-4-6-15(7-5-14)18(23)21-13-19(24)9-2-1-3-10-19/h4-8,11-12,20,24H,1-3,9-10,13H2,(H,21,23)
InChIKeyUVSSYJLKIVPFMA-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.67
Rot. Bonds5

About N-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide

N-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide (PubChem CID 111744569) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide
PubChem CID111744569
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide
SMILESO=C(NCC1(O)CCCCC1)c1ccc(C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C19H22N2O3/c22-17(16-8-11-20-12-16)14-4-6-15(7-5-14)18(23)21-13-19(24)9-2-1-3-10-19/h4-8,11-12,20,24H,1-3,9-10,13H2,(H,21,23)
InChIKeyUVSSYJLKIVPFMA-UHFFFAOYSA-N
XLogP2.67
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
CID 111560567
4-benzamido-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331437
4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111539885
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64866990
N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 111539002
N-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylsulfinylbenzamide
CID 111539894
N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 111428596
6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 65107127

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide (CID 111744569) is N-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide is O=C(NCC1(O)CCCCC1)c1ccc(C(=O)c2cc[nH]c2)cc1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide?
The InChIKey is UVSSYJLKIVPFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-17(16-8-11-20-12-16)14-4-6-15(7-5-14)18(23)21-13-19(24)9-2-1-3-10-19/h4-8,11-12,20,24H,1-3,9-10,13H2,(H,21,23).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide?
N-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide is sourced from PubChem (CID 111744569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).