N-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide

C19H20N4O2 — CID 126795447

IUPACN-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(c1ccc(-c2ncn[nH]2)cc1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C19H20N4O2/c24-19(15-9-7-14(8-10-15)18-20-13-21-22-18)23(16-4-1-2-5-16)12-17-6-3-11-25-17/h3,6-11,13,16H,1-2,4-5,12H2,(H,20,21,22)
InChIKeyCYXAQUWBEQZTPA-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.65
Rot. Bonds5

About N-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide

N-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 126795447) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID126795447
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(c1ccc(-c2ncn[nH]2)cc1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C19H20N4O2/c24-19(15-9-7-14(8-10-15)18-20-13-21-22-18)23(16-4-1-2-5-16)12-17-6-3-11-25-17/h3,6-11,13,16H,1-2,4-5,12H2,(H,20,21,22)
InChIKeyCYXAQUWBEQZTPA-UHFFFAOYSA-N
XLogP3.65
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 78991820
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
N-cyclopropyl-N-(furan-2-ylmethyl)-4-iodobenzamide
CID 60731680
N-cyclopentyl-N-(furan-2-ylmethyl)-1H-indole-6-carboxamide
CID 56797541
N-cyclopentyl-4-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)benzamide
CID 86926762
N-cyclopropyl-N-(furan-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905612
N-cyclopentyl-N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63860432
3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64524441
2-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 103754840
6-chloro-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 103337342
N-cyclopentyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 60738271

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide (CID 126795447) is N-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide is O=C(c1ccc(-c2ncn[nH]2)cc1)N(Cc1ccco1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is CYXAQUWBEQZTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(15-9-7-14(8-10-15)18-20-13-21-22-18)23(16-4-1-2-5-16)12-17-6-3-11-25-17/h3,6-11,13,16H,1-2,4-5,12H2,(H,20,21,22).
What are the key properties of N-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide?
N-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 336.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 126795447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).