4-[(2S)-1-(4-chlorophenyl)-1-(4-fluoronaphthalen-1-yl)pentan-2-yl]-N-(2H-tetrazol-5-ylmethyl)benzamide

C30H27ClFN5O — CID 46829665

IUPAC4-[(2S)-1-(4-chlorophenyl)-1-(4-fluoronaphthalen-1-yl)pentan-2-yl]-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCCC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)C(c1ccc(Cl)cc1)c1ccc(F)c2ccccc12
InChIInChI=1S/C30H27ClFN5O/c1-2-5-23(19-8-10-21(11-9-19)30(38)33-18-28-34-36-37-35-28)29(20-12-14-22(31)15-13-20)26-16-17-27(32)25-7-4-3-6-24(25)26/h3-4,6-17,23,29H,2,5,18H2,1H3,(H,33,38)(H,34,35,36,37)/t23-,29?/m1/s1
InChIKeyVPYHCHSCZDFKBR-WIZGVZBGSA-N
MW528.03 g/mol
LogP6.79
Rot. Bonds9

About 4-[(2S)-1-(4-chlorophenyl)-1-(4-fluoronaphthalen-1-yl)pentan-2-yl]-N-(2H-tetrazol-5-ylmethyl)benzamide

4-[(2S)-1-(4-chlorophenyl)-1-(4-fluoronaphthalen-1-yl)pentan-2-yl]-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 46829665) has the molecular formula C30H27ClFN5O and a molecular weight of 528.03 g/mol. Its IUPAC name is 4-[(2S)-1-(4-chlorophenyl)-1-(4-fluoronaphthalen-1-yl)pentan-2-yl]-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2S)-1-(4-chlorophenyl)-1-(4-fluoronaphthalen-1-yl)pentan-2-yl]-N-(2H-tetrazol-5-ylmethyl)benzamide
PubChem CID46829665
Molecular FormulaC30H27ClFN5O
Molecular Weight528.03 g/mol
Exact Mass527.19
IUPAC Name4-[(2S)-1-(4-chlorophenyl)-1-(4-fluoronaphthalen-1-yl)pentan-2-yl]-N-(2H-tetrazol-5-ylmethyl)benzamide
SMILESCCC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)C(c1ccc(Cl)cc1)c1ccc(F)c2ccccc12
InChIInChI=1S/C30H27ClFN5O/c1-2-5-23(19-8-10-21(11-9-19)30(38)33-18-28-34-36-37-35-28)29(20-12-14-22(31)15-13-20)26-16-17-27(32)25-7-4-3-6-24(25)26/h3-4,6-17,23,29H,2,5,18H2,1H3,(H,33,38)(H,34,35,36,37)/t23-,29?/m1/s1
InChIKeyVPYHCHSCZDFKBR-WIZGVZBGSA-N
XLogP6.79
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.03
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2S)-1-(4-chlorophenyl)-1-(4-fluoronaphthalen-1-yl)pentan-2-yl]-N-(2H-tetrazol-5-ylmethyl)benzamide 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

3-[[4-[1-(4-fluoronaphthalen-1-yl)-1-(4-fluorophenyl)pentan-2-yl]benzoyl]amino]propanoic acid
CID 46829905
N-(2H-tetrazol-5-ylmethyl)benzamide
CID 23176761
3-[[4-[(2S)-1-(4-chlorophenyl)-1-[2-(1H-pyrrol-2-yl)quinolin-5-yl]pentan-2-yl]benzoyl]amino]propanoic acid
CID 58349445
4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 81002204
4-[1-[4-(3,5-dichlorophenyl)-2-methyl-5-oxo-2-pentan-2-ylimidazol-1-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 70900355
3-[[4-[1-(4-chlorophenyl)-1-(3-methyl-1-benzothiophen-2-yl)pentan-2-yl]benzoyl]amino]propanoic acid
CID 46851827
4-[1-[2-(4-chlorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 70900142
2-[[4-[1-(4-chlorophenyl)-1-(7-fluoro-5-methyl-1H-indol-3-yl)pentan-2-yl]benzoyl]amino]ethanesulfonic acid
CID 134265294
4-[[3-[1-(4-chlorophenyl)ethyl]-5-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-1-yl]methyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 67765528
2,6-difluoro-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 82816611
4-[(1R)-1-[2-(3-chloro-5-fluorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 58353476
4-[1-[2-(3,5-dichlorophenyl)-7-methyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 91300881

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-(4-chlorophenyl)-1-(4-fluoronaphthalen-1-yl)pentan-2-yl]-N-(2H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 4-[(2S)-1-(4-chlorophenyl)-1-(4-fluoronaphthalen-1-yl)pentan-2-yl]-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 46829665) is 4-[(2S)-1-(4-chlorophenyl)-1-(4-fluoronaphthalen-1-yl)pentan-2-yl]-N-(2H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2S)-1-(4-chlorophenyl)-1-(4-fluoronaphthalen-1-yl)pentan-2-yl]-N-(2H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-[(2S)-1-(4-chlorophenyl)-1-(4-fluoronaphthalen-1-yl)pentan-2-yl]-N-(2H-tetrazol-5-ylmethyl)benzamide is CCC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)C(c1ccc(Cl)cc1)c1ccc(F)c2ccccc12.
What is the InChIKey of 4-[(2S)-1-(4-chlorophenyl)-1-(4-fluoronaphthalen-1-yl)pentan-2-yl]-N-(2H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is VPYHCHSCZDFKBR-WIZGVZBGSA-N. The full InChI is InChI=1S/C30H27ClFN5O/c1-2-5-23(19-8-10-21(11-9-19)30(38)33-18-28-34-36-37-35-28)29(20-12-14-22(31)15-13-20)26-16-17-27(32)25-7-4-3-6-24(25)26/h3-4,6-17,23,29H,2,5,18H2,1H3,(H,33,38)(H,34,35,36,37)/t23-,29?/m1/s1.
What are the key properties of 4-[(2S)-1-(4-chlorophenyl)-1-(4-fluoronaphthalen-1-yl)pentan-2-yl]-N-(2H-tetrazol-5-ylmethyl)benzamide?
4-[(2S)-1-(4-chlorophenyl)-1-(4-fluoronaphthalen-1-yl)pentan-2-yl]-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 528.03 g/mol, XLogP of 6.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(4-chlorophenyl)-1-(4-fluoronaphthalen-1-yl)pentan-2-yl]-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 46829665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).