N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide

C17H17N5O2 — CID 94642674

IUPACN-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESC[C@H](c1ccco1)N(C(=O)c1ccc(-n2cnnn2)cc1)C1CC1
InChIInChI=1S/C17H17N5O2/c1-12(16-3-2-10-24-16)22(15-8-9-15)17(23)13-4-6-14(7-5-13)21-11-18-19-20-21/h2-7,10-12,15H,8-9H2,1H3/t12-/m1/s1
InChIKeyNUHFGJQKJIWSCF-GFCCVEGCSA-N
MW323.36 g/mol
LogP2.62
Rot. Bonds5

About N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide

N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 94642674) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide
PubChem CID94642674
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide
SMILESC[C@H](c1ccco1)N(C(=O)c1ccc(-n2cnnn2)cc1)C1CC1
InChIInChI=1S/C17H17N5O2/c1-12(16-3-2-10-24-16)22(15-8-9-15)17(23)13-4-6-14(7-5-13)21-11-18-19-20-21/h2-7,10-12,15H,8-9H2,1H3/t12-/m1/s1
InChIKeyNUHFGJQKJIWSCF-GFCCVEGCSA-N
XLogP2.62
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide
CID 51093102
N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 75417029
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 41079127
1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 75425430
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(tetrazol-1-yl)benzamide
CID 2449889
N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 60576025
N-[(1R)-1-(furan-2-yl)ethyl]-3-(2-methoxyphenyl)-N-methyl-5-(tetrazol-1-yl)benzamide
CID 42248350
N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide
CID 60576427
N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide
CID 66188486
(2R)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide
CID 97314451
(2S)-N-cyclopropyl-2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-(furan-2-yl)ethyl]propanamide
CID 97314450
2-cyclopentyl-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60576605

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide (CID 94642674) is N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide is C[C@H](c1ccco1)N(C(=O)c1ccc(-n2cnnn2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is NUHFGJQKJIWSCF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12(16-3-2-10-24-16)22(15-8-9-15)17(23)13-4-6-14(7-5-13)21-11-18-19-20-21/h2-7,10-12,15H,8-9H2,1H3/t12-/m1/s1.
What are the key properties of N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide?
N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 323.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 94642674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).