N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

C18H24N4O2 — CID 111539002

IUPACN-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)NCC3(O)CCCCCC3)cc2)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-13-20-16(22-21-13)14-6-8-15(9-7-14)17(23)19-12-18(24)10-4-2-3-5-11-18/h6-9,24H,2-5,10-12H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyVEOHIPNFMNZZPZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.60
Rot. Bonds4

About N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide

N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 111539002) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID111539002
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)NCC3(O)CCCCCC3)cc2)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-13-20-16(22-21-13)14-6-8-15(9-7-14)17(23)19-12-18(24)10-4-2-3-5-11-18/h6-9,24H,2-5,10-12H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyVEOHIPNFMNZZPZ-UHFFFAOYSA-N
XLogP2.60
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
N-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide
CID 111744569
N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 65113599
4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164
N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 111428596
4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64866990
N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
CID 111560567
4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111539885
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
N-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylsulfinylbenzamide
CID 111539894

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide (CID 111539002) is N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is Cc1nc(-c2ccc(C(=O)NCC3(O)CCCCCC3)cc2)n[nH]1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is VEOHIPNFMNZZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-20-16(22-21-13)14-6-8-15(9-7-14)17(23)19-12-18(24)10-4-2-3-5-11-18/h6-9,24H,2-5,10-12H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide?
N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 328.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 111539002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).