N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide

C18H21ClFN5O2 — CID 154844192

IUPACN-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide
SMILESO=C(NC(c1ccc(Cl)c(F)c1)c1nn[nH]n1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H21ClFN5O2/c19-13-4-3-11(9-14(13)20)15(16-22-24-25-23-16)21-17(26)12-5-8-27-18(10-12)6-1-2-7-18/h3-4,9,12,15H,1-2,5-8,10H2,(H,21,26)(H,22,23,24,25)
InChIKeyWRAWYTVKCLQIIA-UHFFFAOYSA-N
MW393.85 g/mol
LogP2.94
Rot. Bonds4

About N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide

N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide (PubChem CID 154844192) has the molecular formula C18H21ClFN5O2 and a molecular weight of 393.85 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide
PubChem CID154844192
Molecular FormulaC18H21ClFN5O2
Molecular Weight393.85 g/mol
Exact Mass393.14
IUPAC NameN-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide
SMILESO=C(NC(c1ccc(Cl)c(F)c1)c1nn[nH]n1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H21ClFN5O2/c19-13-4-3-11(9-14(13)20)15(16-22-24-25-23-16)21-17(26)12-5-8-27-18(10-12)6-1-2-7-18/h3-4,9,12,15H,1-2,5-8,10H2,(H,21,26)(H,22,23,24,25)
InChIKeyWRAWYTVKCLQIIA-UHFFFAOYSA-N
XLogP2.94
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]cyclopropanecarboxamide
CID 155949277
(3E)-N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]hexa-3,5-dienamide
CID 167847204
N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 166400577
(4-chloro-3-fluorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 107994506
(1S,2R,5S)-N-[(4-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxabicyclo[3.2.1]octane-2-carboxamide
CID 166313738
3-(2,4-dichlorophenyl)-N-[(R)-(3,4-difluorophenyl)-(2H-tetrazol-5-yl)methyl]propanamide
CID 100687166
(3S)-3-(4-chloro-3-fluorophenyl)-3-[[(3S)-oxane-3-carbonyl]amino]propanoic acid
CID 124700631
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787260
(E)-3-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]prop-2-enamide
CID 166219275
(3-chloro-4-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79908902
2-(2-fluorophenyl)sulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 79909414
(5-bromo-2-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787252

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide (CID 154844192) is N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide is O=C(NC(c1ccc(Cl)c(F)c1)c1nn[nH]n1)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide?
The InChIKey is WRAWYTVKCLQIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN5O2/c19-13-4-3-11(9-14(13)20)15(16-22-24-25-23-16)21-17(26)12-5-8-27-18(10-12)6-1-2-7-18/h3-4,9,12,15H,1-2,5-8,10H2,(H,21,26)(H,22,23,24,25).
What are the key properties of N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide?
N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide has a molecular weight of 393.85 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-6-oxaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 154844192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).