2-(4-chloro-2-fluorophenyl)-N-[2-(2,6-dimethylheptan-4-yl)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide

C30H33ClFN5O — CID 149058155

IUPAC2-(4-chloro-2-fluorophenyl)-N-[2-(2,6-dimethylheptan-4-yl)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide
SMILESCC(C)CC(CC(C)C)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1NC(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C30H33ClFN5O/c1-18(2)13-22(14-19(3)4)25-12-10-20(24-7-5-6-8-26(24)30-34-36-37-35-30)15-28(25)33-29(38)16-21-9-11-23(31)17-27(21)32/h5-12,15,17-19,22H,13-14,16H2,1-4H3,(H,33,38)(H,34,35,36,37)
InChIKeyQLGBLBVEYXOTME-UHFFFAOYSA-N
MW534.08 g/mol
LogP7.68
Rot. Bonds10

About 2-(4-chloro-2-fluorophenyl)-N-[2-(2,6-dimethylheptan-4-yl)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide

2-(4-chloro-2-fluorophenyl)-N-[2-(2,6-dimethylheptan-4-yl)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide (PubChem CID 149058155) has the molecular formula C30H33ClFN5O and a molecular weight of 534.08 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-[2-(2,6-dimethylheptan-4-yl)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-[2-(2,6-dimethylheptan-4-yl)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide
PubChem CID149058155
Molecular FormulaC30H33ClFN5O
Molecular Weight534.08 g/mol
Exact Mass533.24
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-[2-(2,6-dimethylheptan-4-yl)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide
SMILESCC(C)CC(CC(C)C)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1NC(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C30H33ClFN5O/c1-18(2)13-22(14-19(3)4)25-12-10-20(24-7-5-6-8-26(24)30-34-36-37-35-30)15-28(25)33-29(38)16-21-9-11-23(31)17-27(21)32/h5-12,15,17-19,22H,13-14,16H2,1-4H3,(H,33,38)(H,34,35,36,37)
InChIKeyQLGBLBVEYXOTME-UHFFFAOYSA-N
XLogP7.68
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.08
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[bis(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(4-chloro-2,6-difluorophenyl)urea
CID 121469174
N-[2-[cyclohexyl(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 121349460
N-[2-[cyclohexyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 158274303
N-[2-[cyclopentyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(4-methylphenyl)acetamide
CID 158702308
1-[2-[(1-cyclopentyl-2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(2-fluorophenyl)urea
CID 121469234
1-(4-chloro-2-fluorophenyl)-3-[5-phenyl-7-[2-(2H-tetrazol-5-yl)phenyl]-2,5-dihydro-1-benzoxepin-9-yl]urea
CID 146333804
2-(4-methylphenyl)-N-[2-propoxy-5-[2-(2H-tetrazol-5-yl)phenyl]-3-(4,4,4-trifluorobutyl)phenyl]acetamide
CID 152828008
N-[2-(1-chloroethyl)phenyl]-2-(2,4-difluorophenyl)acetamide
CID 114304752
N-[2-(dicyclopropylamino)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 157471994
1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 10407640
2-[methyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-N-(2,4,6-trifluorophenyl)acetamide
CID 71010731
N-[2-[benzyl(2-methylpropyl)amino]-6-[2-(2H-tetrazol-5-yl)phenyl]-4-pyridinyl]-2-(3,4-difluorophenyl)acetamide
CID 162468411

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-[2-(2,6-dimethylheptan-4-yl)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-[2-(2,6-dimethylheptan-4-yl)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide (CID 149058155) is 2-(4-chloro-2-fluorophenyl)-N-[2-(2,6-dimethylheptan-4-yl)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-[2-(2,6-dimethylheptan-4-yl)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-[2-(2,6-dimethylheptan-4-yl)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide is CC(C)CC(CC(C)C)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1NC(=O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-[2-(2,6-dimethylheptan-4-yl)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide?
The InChIKey is QLGBLBVEYXOTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClFN5O/c1-18(2)13-22(14-19(3)4)25-12-10-20(24-7-5-6-8-26(24)30-34-36-37-35-30)15-28(25)33-29(38)16-21-9-11-23(31)17-27(21)32/h5-12,15,17-19,22H,13-14,16H2,1-4H3,(H,33,38)(H,34,35,36,37).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-[2-(2,6-dimethylheptan-4-yl)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide?
2-(4-chloro-2-fluorophenyl)-N-[2-(2,6-dimethylheptan-4-yl)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide has a molecular weight of 534.08 g/mol, XLogP of 7.68, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-[2-(2,6-dimethylheptan-4-yl)-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]acetamide is sourced from PubChem (CID 149058155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).