N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide

C18H20N6O2 — CID 41079127

IUPACN-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H20N6O2/c25-18(14-5-7-15(8-6-14)24-13-20-21-22-24)19-12-16(17-4-3-11-26-17)23-9-1-2-10-23/h3-8,11,13,16H,1-2,9-10,12H2,(H,19,25)/t16-/m1/s1
InChIKeyDYFFHRBMRGBZQX-MRXNPFEDSA-N
MW352.40 g/mol
LogP1.82
Rot. Bonds6

About N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide

N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 41079127) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide
PubChem CID41079127
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C18H20N6O2/c25-18(14-5-7-15(8-6-14)24-13-20-21-22-24)19-12-16(17-4-3-11-26-17)23-9-1-2-10-23/h3-8,11,13,16H,1-2,9-10,12H2,(H,19,25)/t16-/m1/s1
InChIKeyDYFFHRBMRGBZQX-MRXNPFEDSA-N
XLogP1.82
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 2449889
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 9171895
4-bromo-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7944545
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74231099
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 4807751
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-methylsulfonylbenzamide
CID 4883203
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 41271980
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 41273010

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide (CID 41079127) is N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide is O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is DYFFHRBMRGBZQX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-18(14-5-7-15(8-6-14)24-13-20-21-22-24)19-12-16(17-4-3-11-26-17)23-9-1-2-10-23/h3-8,11,13,16H,1-2,9-10,12H2,(H,19,25)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide?
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 352.40 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 41079127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).